General Information of the Compound
| Compound ID |
CP0008292
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| Compound Name |
N-[2-[[(4aR,5aS,8aR,13aS,15aS,15bR)-14-oxo-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-10-yl]amino]-2-oxoethyl]octanamide
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| Formula |
C31H40N4O4
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| Molecular Weight |
532.685
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| Canonical SMILES |
CCCCCCCC(=O)NCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
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| InChI |
InChI=1S/C31H40N4O4/c1-2-3-4-5-6-7-26(36)32-17-27(37)33-20-8-9-23-22(14-20)31-11-12-34-18-19-10-13-39-24-16-28(38)35(23)30(31)29(24)21(19)15-25(31)34/h8-10,14,21,24-25,29-30H,2-7,11-13,15-18H2,1H3,(H,32,36)(H,33,37)/t21-,24-,25-,29-,30-,31+/m0/s1
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| InChIKey |
WAPQUQFEOPBULC-YOMUDNKVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound