General Information of the Compound
| Compound ID |
CP0403310
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| Compound Name |
methyl (3R,3'S,5'R)-5'-(2-methylpropyl)-2-oxo-1'-(pyridine-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
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| Structure |
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| Formula |
C23H25N3O4
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| Molecular Weight |
407.47
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| Canonical SMILES |
COC(=O)[C@H]1C[C@@H](CC(C)C)N(C(=O)c2ccccn2)[C@]11C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C23H25N3O4/c1-14(2)12-15-13-17(21(28)30-3)23(16-8-4-5-9-18(16)25-22(23)29)26(15)20(27)19-10-6-7-11-24-19/h4-11,14-15,17H,12-13H2,1-3H3,(H,25,29)/t15-,17-,23+/m1/s1
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| InChIKey |
RIPZTBUHRWUHNC-YAEBDLLGSA-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