General Information of the Compound
| Compound ID |
CP0014665
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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]docosanediamide
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| Formula |
C86H126N8O8
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| Molecular Weight |
1400.002
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| Canonical SMILES |
O=C(CCCCCCCCCCCCCCCCCCCCC(=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/C86H126N8O8/c95-75(87-47-33-27-21-15-13-19-25-31-37-77(97)89-63-39-41-69-67(53-63)85-45-49-91-59-61-43-51-101-71-57-79(99)93(69)83(85)81(71)65(61)55-73(85)91)35-29-23-17-11-9-7-5-3-1-2-4-6-8-10-12-18-24-30-36-76(96)88-48-34-28-22-16-14-20-26-32-38-78(98)90-64-40-42-70-68(54-64)86-46-50-92-60-62-44-52-102-72-58-80(100)94(70)84(86)82(72)66(62)56-74(86)92/h39-44,53-54,65-66,71-74,81-84H,1-38,45-52,55-60H2,(H,87,95)(H,88,96)(H,89,97)(H,90,98)/t65-,66-,71-,72-,73-,74-,81-,82-,83-,84-,85+,86+/m0/s1
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| InChIKey |
JLCIMFIWYBQZMH-GHGDASMBSA-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