General Information of the Compound
| Compound ID |
CP0403311
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| Compound Name |
(3S,3'R,5'S)-3'-(hydroxymethyl)-5'-(2-methylpropyl)-1'-(pyridine-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
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| Structure |
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
CC(C)C[C@H]1C[C@@H](CO)[C@@]2(N1C(=O)c1ccccn1)C(=O)Nc1ccccc21
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| InChI |
InChI=1S/C22H25N3O3/c1-14(2)11-16-12-15(13-26)22(17-7-3-4-8-18(17)24-21(22)28)25(16)20(27)19-9-5-6-10-23-19/h3-10,14-16,26H,11-13H2,1-2H3,(H,24,28)/t15-,16-,22-/m0/s1
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| InChIKey |
CALYFELHRQMSQT-WCJKSRRJSA-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