General Information of the Compound
| Compound ID |
CP0484277
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| Compound Name |
5-(1-phenylethyl)-2-[4-(1H- tetrazol-5-yl)pyridin-2-yl]pyrazol- 3-ol
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| Formula |
C17H15N7O
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| Molecular Weight |
333.355
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| Canonical SMILES |
CC(c1cc(O)n(n1)-c1cc(ccn1)-c1nn[nH]n1)c1ccccc1
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| InChI |
InChI=1S/C17H15N7O/c1-11(12-5-3-2-4-6-12)14-10-16(25)24(21-14)15-9-13(7-8-18-15)17-19-22-23-20-17/h2-11,25H,1H3,(H,19,20,22,23)
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| InChIKey |
NDZPISWATWIEPJ-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