General Information of the Compound
| Compound ID |
CP0362312
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| Compound Name |
N-(2-aminophenyl)-3-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]anilino]propanamide
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| Structure |
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| Formula |
C28H28N4O5S
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| Molecular Weight |
532.622
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(NCCC(=O)Nc2ccccc2N)cc1
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| InChI |
InChI=1S/C28H28N4O5S/c1-35-23-14-18(15-24(36-2)27(23)37-3)26(34)22-16-38-28(32-22)17-8-10-19(11-9-17)30-13-12-25(33)31-21-7-5-4-6-20(21)29/h4-11,14-16,30H,12-13,29H2,1-3H3,(H,31,33)
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| InChIKey |
KQOLCZKNOHSFNL-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