10366136 -OEChem-10051722353D 62 67 0 0 0 0 0 0 0999 V2000 -8.1719 -0.3131 -0.6756 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 0.1872 -0.7803 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 -1.9455 0.0565 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -4.6482 0.5503 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3574 0.7544 0.0993 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6915 2.3904 0.3062 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 3.5660 0.9505 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2383 -0.5660 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9116 -0.8360 -1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6168 -0.1150 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2103 0.5481 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 -4.1071 0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7055 -1.7897 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -3.0150 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4645 -3.5480 -0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7847 -2.4045 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8598 -2.9311 -1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -0.9350 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6507 0.4271 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 -1.2861 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 0.6781 -0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 1.4082 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 2.0658 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3469 -0.3144 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 1.6467 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7947 1.9123 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9905 1.0309 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4988 2.4006 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8173 -0.0555 -0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2637 2.7550 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5202 0.4154 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 3.0954 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 3.5285 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5504 -0.2627 -2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0094 -1.8869 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1169 -0.7550 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7104 0.9282 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8215 0.7089 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6637 1.4840 -0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8928 -4.9204 0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -3.4204 2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6425 -2.2198 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7198 -2.7807 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 -4.3380 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8245 -2.1931 0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4181 -1.5646 1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4511 -2.5924 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 -3.1419 1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -1.5692 2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -2.4555 -1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6216 -3.7168 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -5.3489 -0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 -3.9184 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6628 -2.3332 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 -0.6020 -0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 2.5213 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7648 1.7837 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9502 -1.0112 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 3.5460 -0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3326 -0.1632 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 4.1443 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8645 4.2938 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 12 1 0 0 0 0 4 52 1 0 0 0 0 4 53 1 0 0 0 0 5 19 1 0 0 0 0 5 23 2 0 0 0 0 6 23 1 0 0 0 0 6 25 1 0 0 0 0 6 33 1 0 0 0 0 7 28 1 0 0 0 0 7 33 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 22 2 0 0 0 0 20 24 1 0 0 0 0 20 54 1 0 0 0 0 21 26 2 0 0 0 0 21 29 1 0 0 0 0 22 27 1 0 0 0 0 22 30 1 0 0 0 0 23 32 1 0 0 0 0 24 27 2 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > DB11832 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DYNHJHQFHQTFTP-UHFFFAOYSA-N/SDF?record_type=3d > CC1(COC2=CC=C3N(C=NC3=C2)C2=CC=C3C=CC=C(N4CCC(N)CC4)C3=N2)COC1 > InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 > DYNHJHQFHQTFTP-UHFFFAOYSA-N > C26H29N5O2 > 443.551 > 443.232125194 > 6 > 62 > 49.857749137299606 > 1 > 1 > 0 > 0 > 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine > 4.06 > 3.277266372666668 > -4.54 > 0 > 6 > 1 > 10.02850854999577 > 78.43 > 138.6521 > 5 > 1 > 1.29e-02 g/l > crenolanib > 0 $$$$