448841 -OEChem-10051720163D 40 43 0 1 0 0 0 0 0999 V2000 -6.4728 1.8100 0.2771 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5646 -0.5178 0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9115 -1.1332 -0.4184 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7474 -0.5511 0.6790 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6420 -2.0397 0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 -1.0394 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 0.1279 0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1862 0.2064 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 -2.1946 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0138 1.4440 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 -0.5445 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5842 0.3118 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -2.1085 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3715 -0.8631 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 2.0816 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4367 0.0931 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4231 1.4062 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 1.5572 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 -0.7577 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3825 0.4880 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 1.6432 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8312 0.5803 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 -1.0821 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2272 -0.1484 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -2.6265 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 -2.5766 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 1.1056 -0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 -3.1712 -0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 1.9805 -0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2852 -1.5594 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 -3.0249 -0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 3.1040 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3806 -0.4307 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3559 1.9030 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6321 2.4729 0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3646 -1.6679 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0327 2.6355 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4849 1.8534 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9888 2.6979 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5520 -0.2492 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 22 2 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 9 13 2 0 0 0 0 9 28 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 11 16 2 0 0 0 0 11 30 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 M END > DB03476 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NQRIWXVAIWPBEM-OALUTQOASA-N/SDF?record_type=3d > [H][C@]1(C[C@@]1([H])C1=CC2=CC=C(C=C2C=C1)C(N)=N)C1=CC=CC=C1 > InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)/t18-,19-/m0/s1 > NQRIWXVAIWPBEM-OALUTQOASA-N > C20H18N2 > 286.3703 > 286.146998586 > 2 > 40 > 0.9999517050218302 > 33.817276746764215 > 1 > 2 > 0 > 1 > 6-[(1R,2R)-2-phenylcyclopropyl]naphthalene-2-carboximidamide > 4.06 > 4.0852973640000005 > -5.86 > 0 > 1 > 4 > 1 > 11.31607694539046 > 49.870000000000005 > 101.2129 > 3 > 1 > 3.95e-04 g/l > biotin > 0 $$$$