General Information of the Compound
| Compound ID |
CP0547867
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| Compound Name |
N-(2-aminophenyl)-5-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenyl]pent-4-ynamide
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| Structure |
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| Formula |
C30H27N3O5S
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| Molecular Weight |
541.629
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(cc1)C#CCCC(=O)Nc1ccccc1N
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| InChI |
InChI=1S/C30H27N3O5S/c1-36-25-16-21(17-26(37-2)29(25)38-3)28(35)24-18-39-30(33-24)20-14-12-19(13-15-20)8-4-7-11-27(34)32-23-10-6-5-9-22(23)31/h5-6,9-10,12-18H,7,11,31H2,1-3H3,(H,32,34)
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| InChIKey |
KZMUVACFBUHHDG-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: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8