67411502 -OEChem-04042315563D 63 65 0 1 0 0 0 0 0999 V2000 -2.2848 -2.2589 2.3768 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5919 -5.2199 -1.0770 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 -0.6825 0.5607 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 1.5186 -2.2919 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9216 4.3184 1.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4895 -0.7425 -0.1399 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6511 2.1917 -0.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -1.8132 0.5646 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9946 1.6313 0.0643 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 5.4509 -0.0274 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 0.0509 -0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5956 0.5934 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 -0.5259 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 3.2146 -0.6227 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9731 2.6601 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -1.5445 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 0.3866 -0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 0.4580 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 2.1502 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6108 1.3725 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0496 1.4919 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -0.6255 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 -1.6028 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -2.2984 1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 1.4175 -1.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5444 4.3555 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8872 0.3174 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8299 1.5498 1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 -1.8210 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 -2.6040 1.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.1862 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9504 -3.7522 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -3.3345 -1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 -4.1176 -0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 0.8778 -1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -0.5991 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1224 -0.2468 0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 3.6183 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8824 1.8582 -1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 3.4349 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 1.2455 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 1.3977 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7751 2.9976 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 2.0224 0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 2.2382 -1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4353 1.7348 -0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0384 0.7352 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4829 2.3336 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 0.9371 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 1.8995 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 -2.3866 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 -3.1818 1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3905 -0.4142 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8857 -0.0697 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3555 0.3583 -1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8316 1.1841 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 0.8846 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9647 2.5416 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 5.4836 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3345 6.2816 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 -1.5819 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4811 -4.3617 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 -3.6178 -2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 34 1 0 0 0 0 3 22 1 0 0 0 0 3 29 1 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 7 44 1 0 0 0 0 8 24 2 0 0 0 0 9 19 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 26 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 17 25 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 M END > DB17603 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JOOOJNJPZINWHM-IBGZPJMESA-N/SDF?record_type=3d > CC(C)CN1N=CC2=CC(OC3=CC=C(F)C=C3F)=C(C=C12)C(=O)N[C@@H](CCN(C)C)C(N)=O > InChI=1S/C24H29F2N5O3/c1-14(2)13-31-20-11-17(24(33)29-19(23(27)32)7-8-30(3)4)22(9-15(20)12-28-31)34-21-6-5-16(25)10-18(21)26/h5-6,9-12,14,19H,7-8,13H2,1-4H3,(H2,27,32)(H,29,33)/t19-/m0/s1 > JOOOJNJPZINWHM-IBGZPJMESA-N > C24H29F2N5O3 > 473.525 > 473.22384614 > 4 > 63 > 0.992379739876696 > 47.979784189885194 > 1 > 2 > 0 > 0 > (2S)-2-{[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-1H-indazol-6-yl]formamido}-4-(dimethylamino)butanamide > 2.4858955893333334 > 1 > 1 > 3 > 1 > 15.221213471437165 > 13.709230540347273 > 9.114629373200533 > 102.48000000000002 > 136.2186 > 10 > 1 > 4-{1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl}benzonitrile > 0 $$$$