General Information of the Compound
| Compound ID |
CP0007990
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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]pentanediamide
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| Formula |
C47H50N6O6
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| Molecular Weight |
794.953
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| Canonical SMILES |
O=C(CCCC(=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/C47H50N6O6/c54-38(48-26-4-6-32-30(16-26)46-10-12-50-22-24-8-14-58-34-20-40(56)52(32)44(46)42(34)28(24)18-36(46)50)2-1-3-39(55)49-27-5-7-33-31(17-27)47-11-13-51-23-25-9-15-59-35-21-41(57)53(33)45(47)43(35)29(25)19-37(47)51/h4-9,16-17,28-29,34-37,42-45H,1-3,10-15,18-23H2,(H,48,54)(H,49,55)/t28-,29-,34-,35-,36-,37-,42-,43-,44-,45-,46+,47+/m0/s1
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| InChIKey |
LODYPUWBHZWAKK-LOXSAPSNSA-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