5761 -OEChem-10051720433D 49 52 0 1 0 0 0 0 0999 V2000 2.4802 1.6091 1.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4729 -2.2418 0.4751 N 0 0 2 0 0 0 0 0 0 0 0 0 -5.1983 -0.2437 0.1998 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 0.4702 -0.0574 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 -1.3851 0.5912 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6067 0.0201 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -2.1699 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 -0.2866 -0.2462 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6814 -1.4473 0.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -1.2547 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 0.8415 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 0.1264 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 0.4819 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 0.7466 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5883 -2.9739 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8655 0.6842 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5736 -1.4628 0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 2.2203 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3946 2.1182 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2076 2.8404 -0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 1.3378 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -0.6392 -0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 0.8463 1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5924 -0.2378 -2.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 -1.1669 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -2.9890 0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9844 -2.6039 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1425 -0.6596 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -2.1019 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6242 -1.0642 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 1.4409 -0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1513 -3.7795 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5626 -3.4714 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -2.3344 -1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1544 -2.3592 0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 2.8397 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1978 -0.0995 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 2.6073 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 3.9129 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 1.4046 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 2.3457 0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6243 -0.9446 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 -1.5218 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 0.8028 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -0.1572 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6467 1.5190 2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 0.1092 -2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 0.5742 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 -1.0876 -3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 16 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 6 11 1 0 0 0 0 6 13 2 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 9 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 M END > DB04829 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VAYOSLLFUXYJDT-RDTXWAMCSA-N/SDF?record_type=3d > [H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N(CC)CC > InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 > VAYOSLLFUXYJDT-RDTXWAMCSA-N > C20H25N3O > 323.432 > 323.199762437 > 2 > 49 > 0.9046201720225501 > 37.536806280736926 > 1 > 1 > 0 > 1 > (4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide > 3.30 > 2.2815149479999994 > -3.08 > 0 > 1 > 4 > 1 > 17.018362935901628 > 7.977009732366198 > 39.34 > 98.7347 > 3 > 1 > 2.70e-01 g/l > biotin > 1 $$$$