General Information of the Compound
| Compound ID |
CP0576696
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| Compound Name |
N-(2-aminophenyl)-7-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenoxy]heptanamide
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| Structure |
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| Formula |
C32H35N3O6S
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| Molecular Weight |
589.714
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(OCCCCCCC(=O)Nc2ccccc2N)cc1
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| InChI |
InChI=1S/C32H35N3O6S/c1-38-27-18-22(19-28(39-2)31(27)40-3)30(37)26-20-42-32(35-26)21-13-15-23(16-14-21)41-17-9-5-4-6-12-29(36)34-25-11-8-7-10-24(25)33/h7-8,10-11,13-16,18-20H,4-6,9,12,17,33H2,1-3H3,(H,34,36)
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| InChIKey |
UUOFTHKMGQZTCU-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