General Information of the Compound
| Compound ID |
CP0465188
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| Compound Name |
4-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]benzonitrile
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| Structure |
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| Formula |
C12H11N3O
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| Molecular Weight |
213.24
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| Canonical SMILES |
Cn1ncc(c1CO)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C12H11N3O/c1-15-12(8-16)11(7-14-15)10-4-2-9(6-13)3-5-10/h2-5,7,16H,8H2,1H3
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| InChIKey |
NOZARPUJILAHQN-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial