445383 -OEChem-10051719483D 58 61 0 0 0 0 0 0 0999 V2000 -4.0749 1.2121 3.6472 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0685 -1.2144 -3.6466 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 -1.3657 -0.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 1.3683 0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -4.0854 -1.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7643 4.0890 1.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4742 -2.7048 0.1795 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 2.7064 -0.1802 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -2.7420 0.1181 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 2.7425 -0.1194 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 -1.0316 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 1.0322 -1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2696 -1.8644 0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 1.8650 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1525 -2.4329 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1501 2.4349 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -1.4018 1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 1.4032 -1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -3.3723 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4236 3.3758 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9537 -3.1540 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 3.1370 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6852 -2.7312 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6874 2.7346 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9824 -0.0652 2.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9774 0.0647 -2.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6637 -1.7785 1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 1.7784 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 -0.7201 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 0.7227 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3754 0.0325 2.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3703 -0.0338 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2013 -0.8120 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 0.8110 -1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8102 -0.9427 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 0.9437 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 -3.4173 -0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8184 3.4192 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3837 -3.2773 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 -4.4370 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3806 3.2798 1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 4.4401 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -2.8001 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 -3.2548 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 2.8033 -1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5628 3.2578 0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 0.5941 3.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 -0.5946 -3.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 -2.4342 0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3047 2.4342 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 -1.9739 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.9751 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 -1.2325 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8864 -0.7534 1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8893 0.7556 -1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7926 1.2343 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2833 -0.7298 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2791 0.7282 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 3 23 1 0 0 0 0 3 29 1 0 0 0 0 4 24 1 0 0 0 0 4 30 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 37 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 38 1 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 9 51 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 10 52 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 31 2 0 0 0 0 25 47 1 0 0 0 0 26 32 2 0 0 0 0 26 48 1 0 0 0 0 27 33 2 0 0 0 0 27 49 1 0 0 0 0 28 34 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M END > DB02089 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MWWXABBBAPKJDX-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC2=C(NC(=C2)C(=O)NCCOCCOCCNC(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C=C1 > InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32) > MWWXABBBAPKJDX-UHFFFAOYSA-N > C24H24Cl2N4O4 > 503.378 > 502.11746069 > 4 > 58 > -2.5292017957222743e-07 > 54.21193930803946 > 0 > 4 > 0 > 0 > 5-chloro-N-[2-(2-{2-[(5-chloro-1H-indol-2-yl)formamido]ethoxy}ethoxy)ethyl]-1H-indole-2-carboxamide > 3.67 > 3.075263978 > -5.28 > 1 > 0 > 4 > 0 > 14.202635893242094 > 13.794384770466408 > -1.074245703554553 > 108.24000000000001 > 131.7218 > 11 > 0 > 2.63e-03 g/l > biotin > 0 $$$$