General Information of the Compound
| Compound ID |
CP0567401
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| Compound Name |
1-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-3,3-dimethylindol-2-one
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
CC1(C)C(=O)N(Cc2nc3ccccc3n2CCCCO)c2ccccc12
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| InChI |
InChI=1S/C22H25N3O2/c1-22(2)16-9-3-5-11-18(16)25(21(22)27)15-20-23-17-10-4-6-12-19(17)24(20)13-7-8-14-26/h3-6,9-12,26H,7-8,13-15H2,1-2H3
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| InChIKey |
XWKAPNNQJDHXIY-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