General Information of the Compound
| Compound ID |
CP0416692
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| Compound Name |
N-hydroxy-5-[[3-[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C26H28N4O3S
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| Molecular Weight |
476.602
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| Canonical SMILES |
CC(C)N(C(=O)\C=C\c1ccccc1)c1cccc(CN2CCc3nc(sc3C2)C(=O)NO)c1
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| InChI |
InChI=1S/C26H28N4O3S/c1-18(2)30(24(31)12-11-19-7-4-3-5-8-19)21-10-6-9-20(15-21)16-29-14-13-22-23(17-29)34-26(27-22)25(32)28-33/h3-12,15,18,33H,13-14,16-17H2,1-2H3,(H,28,32)/b12-11+
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| InChIKey |
RXIWHWGDUAVETL-VAWYXSNFSA-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