General Information of the Compound
| Compound ID |
CP0565227
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| Compound Name |
6'-fluoro-1'-[[5-methylsulfonyl-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
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| Formula |
C23H21F4N3O3S
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| Molecular Weight |
495.498
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| Canonical SMILES |
CS(=O)(=O)c1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
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| InChI |
InChI=1S/C23H21F4N3O3S/c1-34(32,33)15-4-6-18-17(12-15)28-20(29(18)10-2-7-23(25,26)27)13-30-19-11-14(24)3-5-16(19)22(8-9-22)21(30)31/h3-6,11-12H,2,7-10,13H2,1H3
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| InChIKey |
NSZSVFLNKNEXKI-UHFFFAOYSA-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