5282443 -OEChem-10051719143D 43 45 0 0 0 0 0 0 0999 V2000 -2.6672 1.5652 0.5685 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 2.2611 -0.2203 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0433 1.1982 0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 1.3875 -0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8481 1.8471 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8789 1.9683 -1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 0.7695 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2845 1.1693 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 0.3911 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -1.0419 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 0.9654 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6138 -1.9522 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 -1.4149 -1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1366 0.1605 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1948 -3.7007 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 -3.2969 0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 -2.7596 -1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3644 0.7436 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -5.1385 -0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2326 2.7932 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4219 2.0846 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 1.5723 1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1927 0.1110 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 0.3277 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 1.9118 -1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1951 2.8433 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7273 1.2494 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2412 1.4318 -2.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7585 3.0232 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8739 -0.2999 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8076 0.9555 2.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 2.2181 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 -1.6489 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 -0.6918 -1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -0.8830 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -4.0202 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 -3.0616 -2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 0.1551 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1598 -5.7905 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5419 -5.3514 -0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -5.3985 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 3.8420 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3679 2.5601 -0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 11 1 0 0 0 0 2 20 2 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 M END > DB00427 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CBEQULMOCCWAQT-WOJGMQOQSA-N/SDF?record_type=3d > CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1 > InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ > CBEQULMOCCWAQT-WOJGMQOQSA-N > C19H22N2 > 278.3914 > 278.178298714 > 2 > 43 > 0.9774849189391288 > 33.061056856358945 > 1 > 0 > 0 > 1 > 2-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine > 4.14 > 4.045153588666668 > -3.72 > 0 > 1 > 3 > 1 > 8.635286307414153 > 16.130000000000003 > 98.5253 > 4 > 1 > 5.37e-02 g/l > tetrahydrofolic acid > 1 $$$$