General Information of the Compound
| Compound ID |
CP0476120
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| Compound Name |
methyl (3S,3'R,5'S)-5'-(2-methylpropyl)-2-oxo-1'-(2-pyridin-2-ylacetyl)spiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
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| Structure |
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| Formula |
C24H27N3O4
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| Molecular Weight |
421.497
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)Cc2ccccn2)[C@@]11C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C24H27N3O4/c1-15(2)12-17-14-19(22(29)31-3)24(18-9-4-5-10-20(18)26-23(24)30)27(17)21(28)13-16-8-6-7-11-25-16/h4-11,15,17,19H,12-14H2,1-3H3,(H,26,30)/t17-,19-,24+/m0/s1
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| InChIKey |
RETMIFWDYTXNLO-WVMBUTMQSA-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