General Information of the Compound
| Compound ID |
CP0574422
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| Compound Name |
methyl (3S,3'R,5'S)-1-methyl-5'-(2-methylpropyl)-2-oxo-1'-(pyridine-2-carbonyl)spiro[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)c2ccccn2)[C@@]11C(=O)N(C)c2ccccc12
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| InChI |
InChI=1S/C24H27N3O4/c1-15(2)13-16-14-18(22(29)31-4)24(27(16)21(28)19-10-7-8-12-25-19)17-9-5-6-11-20(17)26(3)23(24)30/h5-12,15-16,18H,13-14H2,1-4H3/t16-,18-,24+/m0/s1
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| InChIKey |
DFAPCEVIMTWUHS-READRUSDSA-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