General Information of the Compound
| Compound ID |
CP0242450
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| Compound Name |
US9216962, CFH401
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| Structure |
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| Formula |
C18H16N4O3S2
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| Molecular Weight |
400.485
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| Canonical SMILES |
ONC(=O)c1ccc(CNC(=O)c2nc(sc2C2CC2)-c2nccs2)cc1
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| InChI |
InChI=1S/C18H16N4O3S2/c23-15(22-25)12-3-1-10(2-4-12)9-20-16(24)13-14(11-5-6-11)27-18(21-13)17-19-7-8-26-17/h1-4,7-8,11,25H,5-6,9H2,(H,20,24)(H,22,23)
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| InChIKey |
HPAOMQPZUJIWDB-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: PT00991, Histone deacetylase 1
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6