General Information of the Compound
| Compound ID |
CP0561835
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| Compound Name |
3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C25H31N5O2
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| Molecular Weight |
433.556
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| Canonical SMILES |
OCCCCn1c(CN2CN(c3ccccc3)C3(CCNCC3)C2=O)nc2ccccc12
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| InChI |
InChI=1S/C25H31N5O2/c31-17-7-6-16-29-22-11-5-4-10-21(22)27-23(29)18-28-19-30(20-8-2-1-3-9-20)25(24(28)32)12-14-26-15-13-25/h1-5,8-11,26,31H,6-7,12-19H2
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| InChIKey |
HELWBRWUHUEZGG-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