General Information of the Compound
| Compound ID |
CP0563527
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| Compound Name |
6-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanoic acid
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| Formula |
C19H20N4O2S
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| Molecular Weight |
368.462
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| Canonical SMILES |
OC(=O)CCCCCSc1nnc(-c2ccncc2)n1-c1ccccc1
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| InChI |
InChI=1S/C19H20N4O2S/c24-17(25)9-5-2-6-14-26-19-22-21-18(15-10-12-20-13-11-15)23(19)16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14H2,(H,24,25)
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| InChIKey |
ANRGNNSUQLCKLH-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