General Information of the Compound
| Compound ID |
CP0011899
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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]dodecanediamide
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| Formula |
C76H106N8O8
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| Molecular Weight |
1259.732
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| Canonical SMILES |
O=C(CCCCCCCCCCC(=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/C76H106N8O8/c85-65(77-37-23-17-11-5-3-9-15-21-27-67(87)79-53-29-31-59-57(43-53)75-35-39-81-49-51-33-41-91-61-47-69(89)83(59)73(75)71(61)55(51)45-63(75)81)25-19-13-7-1-2-8-14-20-26-66(86)78-38-24-18-12-6-4-10-16-22-28-68(88)80-54-30-32-60-58(44-54)76-36-40-82-50-52-34-42-92-62-48-70(90)84(60)74(76)72(62)56(52)46-64(76)82/h29-34,43-44,55-56,61-64,71-74H,1-28,35-42,45-50H2,(H,77,85)(H,78,86)(H,79,87)(H,80,88)/t55-,56-,61-,62-,63-,64-,71-,72-,73-,74-,75+,76+/m0/s1
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| InChIKey |
WRIKHSDOGYQBSJ-KIIKPOHQSA-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