General Information of the Compound
| Compound ID |
CP0889351
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| Compound Name |
3-(5-(2-(benzyloxy)-5-chlorophenyl)-1H-1,2,4-triazol-1-yl)benzoic acid
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| Structure |
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| Formula |
C22H16ClN3O3
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| Molecular Weight |
405.841
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| Canonical SMILES |
O=C(O)c1cccc(-n2ncnc2-c2cc(Cl)ccc2OCc2ccccc2)c1
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| InChI |
InChI=1S/C22H16ClN3O3/c23-17-9-10-20(29-13-15-5-2-1-3-6-15)19(12-17)21-24-14-25-26(21)18-8-4-7-16(11-18)22(27)28/h1-12,14H,13H2,(H,27,28)
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| InChIKey |
MTKGUKLKEDNQSQ-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