General Information of the Compound
| Compound ID |
CP0374410
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| Compound Name |
1-(6-(2-mercaptoacetamido)hexyl)-3-phenylurea
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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 |
SCC(=O)NCCCCCCNC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C15H23N3O2S/c19-14(12-21)16-10-6-1-2-7-11-17-15(20)18-13-8-4-3-5-9-13/h3-5,8-9,21H,1-2,6-7,10-12H2,(H,16,19)(H2,17,18,20)
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| InChIKey |
ZOONFWOWCXQYQQ-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