General Information of the Compound
| Compound ID |
CP0558964
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| Compound Name |
methyl (3S,3'R,5'S)-5-fluoro-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 |
C23H24FN3O4
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| Molecular Weight |
425.46
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2ccccn2)[C@@]11C(=O)Nc2ccc(F)cc12
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| InChI |
InChI=1S/C23H24FN3O4/c1-13(2)10-15-12-17(21(29)31-3)23(27(15)20(28)19-6-4-5-9-25-19)16-11-14(24)7-8-18(16)26-22(23)30/h4-9,11,13,15,17H,10,12H2,1-3H3,(H,26,30)/t15-,17-,23+/m0/s1
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| InChIKey |
QNIKWNNEVISCTO-WSZRMNBISA-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