General Information of the Compound
| Compound ID |
CP0445438
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| Compound Name |
(2S)-2-[(4-chlorophenyl)formamido]-N-cyclopentyl-7-sulfanylheptanamide
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| Structure |
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| Formula |
C19H27ClN2O2S
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| Molecular Weight |
382.957
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| Canonical SMILES |
SCCCCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C19H27ClN2O2S/c20-15-11-9-14(10-12-15)18(23)22-17(8-2-1-5-13-25)19(24)21-16-6-3-4-7-16/h9-12,16-17,25H,1-8,13H2,(H,21,24)(H,22,23)/t17-/m0/s1
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| InChIKey |
JYRNZXYEKQYJDP-KRWDZBQOSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT03064, Histone deacetylase 6