58029842 -OEChem-10051722413D 66 70 0 1 0 0 0 0 0999 V2000 -0.0615 3.9335 -0.7308 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5414 0.0854 0.9962 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 -0.4904 -2.9518 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5372 -1.3648 0.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8772 0.7890 2.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2885 -1.5000 -0.9356 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 0.0894 -0.1394 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 0.0171 1.2207 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -0.1533 1.4788 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6693 -1.1914 -0.5009 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 -0.6333 -0.3728 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 0.6791 -0.5354 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7525 -1.3533 0.4456 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0518 -2.5600 1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 -3.9081 0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6697 -3.9524 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2665 -2.8308 -1.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6191 -0.2241 -0.2407 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3216 -0.8696 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1659 0.5119 -1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8113 1.0783 -1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 -0.9382 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 0.0635 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 -1.2867 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 -0.6635 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 -0.4163 -1.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6685 0.8312 1.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 0.7563 1.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6682 0.9319 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 1.6057 2.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8234 1.4482 -0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 1.7002 -1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 2.7327 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4963 2.9847 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6514 3.5009 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 0.5972 0.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 -0.5136 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -2.4962 1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 -2.5198 2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1832 -4.7118 1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 -4.0735 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -4.9200 -1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -3.8628 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 -2.9998 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -2.8454 -2.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9684 0.5060 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 -1.8275 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3439 -1.0376 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0317 -0.1859 -2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8645 1.2924 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1512 1.2081 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9348 2.0447 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6742 -1.9037 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9286 -1.6597 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5046 -0.7120 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 1.2605 2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5303 0.9525 2.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3037 2.0785 3.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 2.4010 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6072 1.3020 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7096 3.1517 0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1466 0.0226 -1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 4.5007 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7436 0.1398 0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2855 1.6865 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7106 0.2564 1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 12 1 0 0 0 0 2 36 1 0 0 0 0 3 26 2 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 6 26 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 9 22 2 0 0 0 0 10 18 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 23 2 0 0 0 0 11 25 1 0 0 0 0 12 31 1 0 0 0 0 12 62 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 56 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 35 2 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 M END > DB12165 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GOFXWTVKPWJNGD-UWJYYQICSA-N/SDF?record_type=3d > CC1=CN2N=C(C=C2N=C1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)C1=CC(Cl)=CC=C1NS(C)(=O)=O > InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1 > GOFXWTVKPWJNGD-UWJYYQICSA-N > C24H30ClN7O3S > 532.06 > 531.1819367 > 7 > 66 > 55.64396494372775 > 1 > 2 > 0 > 0 > N-{2-[(2S)-2-{5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}piperidine-1-carbonyl]-4-chlorophenyl}methanesulfonamide > 3.10 > 1.282591533269855 > -4.11 > 0 > 5 > 0 > 5.054968874135901 > 9.82823934575476 > 125.92999999999999 > 150.41079999999997 > 4 > 0 > 4.15e-02 g/l > N-{2-[(2S)-2-{5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}piperidine-1-carbonyl]-4-chlorophenyl}methanesulfonamide > 0 $$$$