General Information of the Compound
| Compound ID |
CP0406060
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| Compound Name |
N-hydroxy-5-[1-[6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]pyridin-3-yl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C24H25N5O4S
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| Molecular Weight |
479.562
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)Nc2ccc(cn2)C(C)N2CCc3nc(sc3C2)C(=O)NO)cc1
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| InChI |
InChI=1S/C24H25N5O4S/c1-15(29-12-11-19-20(14-29)34-24(26-19)23(31)28-32)17-6-9-21(25-13-17)27-22(30)10-5-16-3-7-18(33-2)8-4-16/h3-10,13,15,32H,11-12,14H2,1-2H3,(H,28,31)(H,25,27,30)/b10-5+
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| InChIKey |
RXBALWDUSRVLFZ-BJMVGYQFSA-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6