General Information of the Compound
| Compound ID |
CP0007994
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| Compound Name |
N,N'-bis[11-[[(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]-11-oxoundecyl]hexadecanediamide
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| Formula |
C80H114N8O8
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| Molecular Weight |
1315.84
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| Canonical SMILES |
O=C(CCCCCCCCCCCCCCC(=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)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/C80H114N8O8/c89-69(81-41-27-21-15-9-7-13-19-25-31-71(91)83-57-33-35-63-61(47-57)79-39-43-85-53-55-37-45-95-65-51-73(93)87(63)77(79)75(65)59(55)49-67(79)85)29-23-17-11-5-3-1-2-4-6-12-18-24-30-70(90)82-42-28-22-16-10-8-14-20-26-32-72(92)84-58-34-36-64-62(48-58)80-40-44-86-54-56-38-46-96-66-52-74(94)88(64)78(80)76(66)60(56)50-68(80)86/h33-38,47-48,59-60,65-68,75-78H,1-32,39-46,49-54H2,(H,81,89)(H,82,90)(H,83,91)(H,84,92)/t59-,60-,65-,66-,67-,68-,75-,76-,77-,78-,79+,80+/m0/s1
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| InChIKey |
SNCRHEFSSRKCHT-VQVSISRWSA-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