6918493 -OEChem-10051722103D 50 52 0 1 0 0 0 0 0999 V2000 -1.9268 0.2799 -1.9482 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.3854 0.5281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 2.1633 -2.4903 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 2.9491 -0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7906 0.7729 -0.5507 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6818 -0.5400 1.4671 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 0.0333 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 0.5468 -0.7129 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1537 0.8317 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -1.4852 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8484 0.6393 1.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 -2.0131 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 1.6971 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -2.2379 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1994 2.0057 -1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 -0.4405 -2.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 1.3626 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9492 -3.3886 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 2.4204 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5646 -3.6135 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 2.2532 2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -4.1889 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 0.1987 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1243 0.5694 -0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0187 -0.7032 1.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7992 -0.1671 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8825 1.1868 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 -1.5176 2.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 -0.0311 -1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 -0.0650 2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6733 -1.4035 -0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 1.8584 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -1.8681 -0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 -1.5192 -2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 -0.0215 -3.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8182 -0.3372 -3.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 1.2282 3.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9368 -3.8368 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 3.1148 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -4.2386 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 2.8156 3.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -5.2602 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 3.1087 -2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8714 -0.3153 0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 0.4136 -2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 1.7387 -2.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6304 1.8883 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3977 -0.9194 3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 -1.8707 3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1535 -2.3939 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 43 1 0 0 0 0 4 15 2 0 0 0 0 5 23 1 0 0 0 0 5 24 2 0 0 0 0 6 23 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 30 1 0 0 0 0 12 18 1 0 0 0 0 12 31 1 0 0 0 0 13 19 2 0 0 0 0 13 32 1 0 0 0 0 14 20 2 0 0 0 0 14 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > DB06403 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OUJTZYPIHDYQMC-LJQANCHMSA-N/SDF?record_type=3d > COC([C@H](OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1 > OUJTZYPIHDYQMC-LJQANCHMSA-N > C22H22N2O4 > 378.428 > 378.157957196 > 6 > 50 > 38.85987014297136 > 1 > 1 > 0 > 1 > (2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid > 3.90 > 3.499580326970246 > -3.88 > 1 > 3 > -1 > 14.95264715383425 > 3.592752199060692 > 2.478591788253246 > 81.54 > 104.17390000000003 > 7 > 1 > 5.00e-02 g/l > ambrisentan > 0 $$$$