General Information of the Compound
| Compound ID |
CP0639104
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| Compound Name |
(S)-1-methyl-N-(7-oxo-1-(4-phenyl-1H-imidazol-2-yl)-7-(pyridin-2-yl)heptyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C28H35N5O2
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| Molecular Weight |
473.621
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| Canonical SMILES |
CN1CCC(C(=O)N[C@@H](CCCCCC(=O)c2ccccn2)c2ncc(-c3ccccc3)[nH]2)CC1
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| InChI |
InChI=1S/C28H35N5O2/c1-33-18-15-22(16-19-33)28(35)32-24(27-30-20-25(31-27)21-10-4-2-5-11-21)13-6-3-7-14-26(34)23-12-8-9-17-29-23/h2,4-5,8-12,17,20,22,24H,3,6-7,13-16,18-19H2,1H3,(H,30,31)(H,32,35)/t24-/m0/s1
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| InChIKey |
NBHIUHBQRKSJFW-DEOSSOPVSA-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: PT00835, Histone deacetylase 2