General Information of the Compound
| Compound ID |
CP0009017
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| Compound Name |
(4aR,5aS,8aR,13aS,15E,15aR,15bR)-15-prop-2-ynoxyimino-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 |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
O=C1N2[C@H]3[C@H]4[C@H]5C[C@@H]6N(CC[C@]36c3ccccc23)CC5=CCO[C@H]4\C1=N/OCC#C
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| InChI |
InChI=1S/C24H23N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h1,3-7,15,18-19,21-22H,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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| InChIKey |
RETKEJUHMKGUFW-FFQJLOJNSA-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