General Information of the Compound
| Compound ID |
CP0548132
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| Compound Name |
1-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]indazole-5-carbonitrile
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| Structure |
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| Formula |
C16H14N4O
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| Molecular Weight |
278.315
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| Canonical SMILES |
CC(C)(O)c1cncc(c1)-n1ncc2cc(ccc12)C#N
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| InChI |
InChI=1S/C16H14N4O/c1-16(2,21)13-6-14(10-18-9-13)20-15-4-3-11(7-17)5-12(15)8-19-20/h3-6,8-10,21H,1-2H3
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| InChIKey |
BIWXIDYEYCQZEV-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