General Information of the Compound
| Compound ID |
CP0477271
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| Compound Name |
5-((1H-1,2,4-triazol-1-yl)methyl)-4'-chloro-3'-hydroxybiphenyl-2-carbonitrile
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| Structure |
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| Formula |
C16H11ClN4O
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| Molecular Weight |
310.744
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| Canonical SMILES |
Oc1cc(ccc1Cl)-c1cc(Cn2cncn2)ccc1C#N
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| InChI |
InChI=1S/C16H11ClN4O/c17-15-4-3-12(6-16(15)22)14-5-11(1-2-13(14)7-18)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2
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| InChIKey |
HQWDVOAKKNEBBT-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