General Information of the Compound
| Compound ID |
CP0014662
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| Compound Name |
N,N'-bis[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]heptanediamide
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| Formula |
C53H60N8O8
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| Molecular Weight |
937.111
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| Canonical SMILES |
O=C(CCCCCC(=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)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/C53H60N8O8/c62-42(54-24-44(64)56-30-6-8-36-34(18-30)52-12-14-58-26-28-10-16-68-38-22-46(66)60(36)50(52)48(38)32(28)20-40(52)58)4-2-1-3-5-43(63)55-25-45(65)57-31-7-9-37-35(19-31)53-13-15-59-27-29-11-17-69-39-23-47(67)61(37)51(53)49(39)33(29)21-41(53)59/h6-11,18-19,32-33,38-41,48-51H,1-5,12-17,20-27H2,(H,54,62)(H,55,63)(H,56,64)(H,57,65)/t32-,33-,38-,39-,40-,41-,48-,49-,50-,51-,52+,53+/m0/s1
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| InChIKey |
CCJIFYCPZPSDPJ-FDWZGXJBSA-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