General Information of the Compound
| Compound ID |
CP0394609
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| Compound Name |
4-Dimethylamino-N-[3-(2-mercapto-acetylamino)-propyl]-benzamide
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| Structure |
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| Formula |
C14H21N3O2S
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| Molecular Weight |
295.408
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)NCCCNC(=O)CS
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| InChI |
InChI=1S/C14H21N3O2S/c1-17(2)12-6-4-11(5-7-12)14(19)16-9-3-8-15-13(18)10-20/h4-7,20H,3,8-10H2,1-2H3,(H,15,18)(H,16,19)
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| InChIKey |
DZDWFEQPDJSYRZ-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