General Information of the Compound
| Compound ID |
CP0565239
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| Compound Name |
4-[[[2-(1-adamantylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
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| Formula |
C30H37N3O4
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| Molecular Weight |
503.643
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| Canonical SMILES |
CC(C)c1ccc(cc1)C(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C30H37N3O4/c1-19(2)24-7-9-26(10-8-24)29(36)33(17-20-3-5-25(6-4-20)28(35)32-37)18-27(34)31-30-14-21-11-22(15-30)13-23(12-21)16-30/h3-10,19,21-23,37H,11-18H2,1-2H3,(H,31,34)(H,32,35)
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| InChIKey |
JYZJRJRLJFXOST-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