General Information of the Compound
| Compound ID |
CP0476778
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| Compound Name |
N-hydroxy-5-[(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C19H23N3O2S
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| Molecular Weight |
357.479
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| Canonical SMILES |
CN1CCC2(CN(Cc3ccc(s3)C(=O)NO)c3ccccc23)CC1
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| InChI |
InChI=1S/C19H23N3O2S/c1-21-10-8-19(9-11-21)13-22(16-5-3-2-4-15(16)19)12-14-6-7-17(25-14)18(23)20-24/h2-7,24H,8-13H2,1H3,(H,20,23)
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| InChIKey |
BWDISBLARZZBPV-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: PT01213, Histone deacetylase 6