General Information of the Compound
| Compound ID |
CP0014664
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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]dodecanediamide
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| Formula |
C58H70N8O8
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| Molecular Weight |
1007.246
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| Canonical SMILES |
O=C(CCCCCCCCCCC(=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/C58H70N8O8/c67-47(59-29-49(69)61-35-11-13-41-39(23-35)57-17-19-63-31-33-15-21-73-43-27-51(71)65(41)55(57)53(43)37(33)25-45(57)63)9-7-5-3-1-2-4-6-8-10-48(68)60-30-50(70)62-36-12-14-42-40(24-36)58-18-20-64-32-34-16-22-74-44-28-52(72)66(42)56(58)54(44)38(34)26-46(58)64/h11-16,23-24,37-38,43-46,53-56H,1-10,17-22,25-32H2,(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t37-,38-,43-,44-,45-,46-,53-,54-,55-,56-,57+,58+/m0/s1
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| InChIKey |
MAPABPFPPIASSB-PIEKUKNPSA-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