General Information of the Compound
| Compound ID |
CP0008081
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| Compound Name |
(4aR,5aS,8aR,13aS,15E,15aR,15bR)-15-methoxyimino-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
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| InChI |
InChI=1S/C22H23N3O3/c1-27-23-18-19-17-13-10-16-22(7-8-24(16)11-12(13)6-9-28-19)14-4-2-3-5-15(14)25(20(17)22)21(18)26/h2-6,13,16-17,19-20H,7-11H2,1H3/b23-18+/t13-,16-,17-,19+,20-,22+/m0/s1
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| InChIKey |
JIEFHNBYMOMHOJ-IBESPKCESA-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