General Information of the Compound
| Compound ID |
CP0501789
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| Compound Name |
(2S)-2-amino-N-cyclopentyl-7-sulfanylheptanamide
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| Synonyms |
(S)-2-Amino-N-cyclopentyl-7-mercaptoheptanamide
BDBM19139
CHEMBL235911
SCHEMBL16338810
thiolate analogue, 26a
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| Structure |
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| Formula |
C12H24N2OS
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| Molecular Weight |
244.404
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| Canonical SMILES |
N[C@@H](CCCCCS)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C12H24N2OS/c13-11(8-2-1-5-9-16)12(15)14-10-6-3-4-7-10/h10-11,16H,1-9,13H2,(H,14,15)/t11-/m0/s1
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| InChIKey |
BNEXTTBMNDFSSZ-NSHDSACASA-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
Clinical Information about the Compound