General Information of the Compound
| Compound ID |
CP0411525
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| Compound Name |
1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-4-(4-methylphenoxy)butan-2-ol
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| Structure |
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| Formula |
C25H32ClN3O2
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| Molecular Weight |
442.003
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| Canonical SMILES |
CN(CC(O)CCOc1ccc(C)cc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C
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| InChI |
InChI=1S/C25H32ClN3O2/c1-18-9-11-23(12-10-18)31-14-13-22(30)16-28(4)17-24-19(2)27-29(20(24)3)15-21-7-5-6-8-25(21)26/h5-12,22,30H,13-17H2,1-4H3
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| InChIKey |
UHZNZGTWJIZDBS-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