General Information of the Compound
| Compound ID |
CP0463438
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| Compound Name |
(3R,3'S,5'R)-5-fluoro-3'-methyl-1'-(1-methylimidazole-4-carbonyl)-5'-(2-methylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
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| Structure |
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| Formula |
C21H25FN4O2
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| Molecular Weight |
384.455
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| Canonical SMILES |
CC(C)C[C@@H]1C[C@H](C)[C@]2(N1C(=O)c1cn(C)cn1)C(=O)Nc1ccc(F)cc21
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| InChI |
InChI=1S/C21H25FN4O2/c1-12(2)7-15-8-13(3)21(26(15)19(27)18-10-25(4)11-23-18)16-9-14(22)5-6-17(16)24-20(21)28/h5-6,9-13,15H,7-8H2,1-4H3,(H,24,28)/t13-,15+,21+/m0/s1
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| InChIKey |
WAFNVKVWBPXGHK-QDUSTFBWSA-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