General Information of the Compound
| Compound ID |
CP0007993
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| Compound Name |
N-[(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]-11-(octanoylamino)undecanamide
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| Formula |
C40H58N4O4
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| Molecular Weight |
658.928
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| Canonical SMILES |
CCCCCCCC(=O)NCCCCCCCCCCC(=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/C40H58N4O4/c1-2-3-4-9-12-15-35(45)41-21-14-11-8-6-5-7-10-13-16-36(46)42-29-17-18-32-31(24-29)40-20-22-43-27-28-19-23-48-33-26-37(47)44(32)39(40)38(33)30(28)25-34(40)43/h17-19,24,30,33-34,38-39H,2-16,20-23,25-27H2,1H3,(H,41,45)(H,42,46)/t30-,33-,34-,38-,39-,40+/m0/s1
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| InChIKey |
PVTBYHYPWZSJAF-VMKDXUQRSA-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