44404226 -OEChem-05151818293D 38 41 0 1 0 0 0 0 0999 V2000 1.3375 2.9678 -0.7673 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5288 -1.8440 0.8965 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 2.8334 -0.3898 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7306 -1.8491 0.0408 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1047 -1.5368 0.6414 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0799 -0.9473 -0.1330 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0957 -0.0069 0.8730 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4446 0.4013 0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 -1.9193 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4007 -1.5203 -1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 0.7691 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 0.1833 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 2.0850 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 0.9213 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 2.2304 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8147 0.3346 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -0.7943 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 0.8973 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3516 -1.3606 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1018 0.3310 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 -0.7979 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -1.3780 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 -2.0942 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -0.9258 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1805 0.1717 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0567 0.9333 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3531 1.0322 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 -1.4106 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8768 -2.9998 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9311 -2.4048 -1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3283 -0.7942 -2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7989 -1.5225 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4832 -0.8413 0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9177 2.6190 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 -1.2453 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6424 1.7737 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5411 -2.2399 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8804 0.7801 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 32 1 0 0 0 0 3 13 2 0 0 0 0 3 15 1 0 0 0 0 4 22 3 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 M END > DB14029 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HMZQULPVMKITSP-UHFFFAOYSA-N/SDF?record_type=3d > FC1=C(C=C(C=N1)C1CC2CCC1N2)C1=CC=C(C=C1)C#N > InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2 > HMZQULPVMKITSP-UHFFFAOYSA-N > C18H16FN3 > 293.345 > 293.13282569 > 3 > 38 > 31.363402474865655 > 1 > 1 > 0 > 1 > 4-(5-{7-azabicyclo[2.2.1]heptan-2-yl}-2-fluoropyridin-3-yl)benzonitrile > 2.69 > 3.0593091296666666 > -4.48 > 0 > 4 > 1 > 10.524670648522685 > 48.71 > 83.6144 > 2 > 1 > 9.61e-03 g/l > 4-(5-{7-azabicyclo[2.2.1]heptan-2-yl}-2-fluoropyridin-3-yl)benzonitrile > 0 $$$$