5288588 -OEChem-10051720283D 40 43 0 1 0 0 0 0 0999 V2000 5.7789 0.3664 -1.3551 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 1.4896 -0.5158 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -1.8397 1.9789 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -0.1230 1.4938 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7961 1.7759 0.1719 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7149 1.1755 1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 -1.1497 0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 2.2455 -0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 0.1503 0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -0.5597 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3036 1.2390 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3348 0.7689 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 -0.7134 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -1.5372 -1.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 -0.4772 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 0.6507 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8328 -1.9767 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -1.3330 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1725 0.8862 -0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1087 -1.0751 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2578 0.0367 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 -0.4933 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4757 2.6364 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 0.9716 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2421 1.8860 2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5009 -1.5600 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 -1.9925 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1463 3.1623 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 2.4963 -1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 1.1623 -1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2773 -2.4094 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7175 -1.0857 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2744 -2.6841 -3.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -2.4728 -2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 -1.1257 -3.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5793 -2.0756 2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 -2.4726 2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 -2.2151 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 1.7552 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -1.7474 0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 M END > DB04114 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QTPHSDHUHXUYFE-NWDGAFQWSA-N/SDF?record_type=3d > [H][C@]12CC3=C(C(N)=C4C=CC(Cl)=CC4=N3)[C@]([H])(CC(CC)=C1)C2 > InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11-,12+/m0/s1 > QTPHSDHUHXUYFE-NWDGAFQWSA-N > C18H19ClN2 > 298.81 > 298.123676325 > 2 > 40 > 0.9210814451098531 > 32.8985662412379 > 1 > 1 > 0 > 1 > (1S,13S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine > 5.02 > 4.113078596333333 > -5.26 > 0 > 1 > 4 > 1 > 8.067118908431956 > 38.91 > 88.4385 > 1 > 1 > 1.63e-03 g/l > biotin > 1 $$$$