General Information of the Compound
| Compound ID |
CP0317672
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| Compound Name |
N-hydroxy-6-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
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| Formula |
C16H21N5O2S
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| Molecular Weight |
347.444
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| Canonical SMILES |
ONC(=O)CCCCCSc1nnc(-c2ccncc2)n1CC=C
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| InChI |
InChI=1S/C16H21N5O2S/c1-2-11-21-15(13-7-9-17-10-8-13)18-19-16(21)24-12-5-3-4-6-14(22)20-23/h2,7-10,23H,1,3-6,11-12H2,(H,20,22)
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| InChIKey |
YBHOPFXYPZVHFF-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