General Information of the Compound
| Compound ID |
CP0317674
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| Compound Name |
6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanoic acid
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| Formula |
C14H18N4O2S
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| Molecular Weight |
306.391
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| Canonical SMILES |
Cn1c(SCCCCCC(O)=O)nnc1-c1ccncc1
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| InChI |
InChI=1S/C14H18N4O2S/c1-18-13(11-6-8-15-9-7-11)16-17-14(18)21-10-4-2-3-5-12(19)20/h6-9H,2-5,10H2,1H3,(H,19,20)
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| InChIKey |
MZSBUEFOZQDGFE-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