General Information of the Compound
| Compound ID |
CP0559032
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| Compound Name |
1-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]indole-3-carbonitrile
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
OCCCCn1c(Cn2cc(C#N)c3ccccc23)nc2ccccc12
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| InChI |
InChI=1S/C21H20N4O/c22-13-16-14-24(19-9-3-1-7-17(16)19)15-21-23-18-8-2-4-10-20(18)25(21)11-5-6-12-26/h1-4,7-10,14,26H,5-6,11-12,15H2
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| InChIKey |
AFASHXQPZINLRO-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