General Information of the Compound
| Compound ID |
CP0390033
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| Compound Name |
2-(5-((1H-1,2,4-triazol-1-yl)methyl)-4'-hydroxybiphenyl-3-yl)-2-methylpropanenitrile
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| Structure |
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| Formula |
C19H18N4O
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| Molecular Weight |
318.38
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| Canonical SMILES |
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(O)cc1
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| InChI |
InChI=1S/C19H18N4O/c1-19(2,11-20)17-8-14(10-23-13-21-12-22-23)7-16(9-17)15-3-5-18(24)6-4-15/h3-9,12-13,24H,10H2,1-2H3
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| InChIKey |
DHQNLUPJSLAQJH-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