General Information of the Compound
| Compound ID |
CP0435947
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| Compound Name |
4-Dimethylamino-N-[4-(2-mercapto-acetylamino)-butyl]-benzamide
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| Structure |
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| Formula |
C15H23N3O2S
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| Molecular Weight |
309.435
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)NCCCCNC(=O)CS
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| InChI |
InChI=1S/C15H23N3O2S/c1-18(2)13-7-5-12(6-8-13)15(20)17-10-4-3-9-16-14(19)11-21/h5-8,21H,3-4,9-11H2,1-2H3,(H,16,19)(H,17,20)
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| InChIKey |
BTMXKFKUNIPMAH-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT01443, Polyamine deacetylase HDAC10