General Information of the Compound
| Compound ID |
CP0013664
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| Compound Name |
N,N'-bis[(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]dodecanediamide
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| Formula |
C54H64N6O6
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| Molecular Weight |
893.142
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| Canonical SMILES |
O=C(CCCCCCCCCCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1)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/C54H64N6O6/c61-45(55-33-11-13-39-37(23-33)53-17-19-57-29-31-15-21-65-41-27-47(63)59(39)51(53)49(41)35(31)25-43(53)57)9-7-5-3-1-2-4-6-8-10-46(62)56-34-12-14-40-38(24-34)54-18-20-58-30-32-16-22-66-42-28-48(64)60(40)52(54)50(42)36(32)26-44(54)58/h11-16,23-24,35-36,41-44,49-52H,1-10,17-22,25-30H2,(H,55,61)(H,56,62)/t35-,36-,41-,42-,43-,44-,49-,50-,51-,52-,53+,54+/m0/s1
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| InChIKey |
NCZVCWOBWGTWOF-WYDIPWKSSA-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