General Information of the Compound
| Compound ID |
CP0008290
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| Compound Name |
N,N'-bis[(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]butanediamide
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| Formula |
C46H48N6O6
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| Molecular Weight |
780.926
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| Canonical SMILES |
O=C(CCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1)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/C46H48N6O6/c53-37(47-25-1-3-31-29(15-25)45-9-11-49-21-23-7-13-57-33-19-39(55)51(31)43(45)41(33)27(23)17-35(45)49)5-6-38(54)48-26-2-4-32-30(16-26)46-10-12-50-22-24-8-14-58-34-20-40(56)52(32)44(46)42(34)28(24)18-36(46)50/h1-4,7-8,15-16,27-28,33-36,41-44H,5-6,9-14,17-22H2,(H,47,53)(H,48,54)/t27-,28-,33-,34-,35-,36-,41-,42-,43-,44-,45+,46+/m0/s1
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| InChIKey |
ZDVKCDTZLPGASQ-UDTMQTJVSA-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