General Information of the Compound
| Compound ID |
CP0638180
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| Compound Name |
(S)-N-(1-(5-(4-fluorophenyl)-1H-imidazol-2-yl)-7-(4-methyloxazol-2-yl)-7-oxoheptyl)-1-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C27H34FN5O3
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| Molecular Weight |
495.599
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| Canonical SMILES |
Cc1coc(C(=O)CCCCC[C@H](NC(=O)C2CCN(C)CC2)c2ncc(-c3ccc(F)cc3)[nH]2)n1
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| InChI |
InChI=1S/C27H34FN5O3/c1-18-17-36-27(30-18)24(34)7-5-3-4-6-22(32-26(35)20-12-14-33(2)15-13-20)25-29-16-23(31-25)19-8-10-21(28)11-9-19/h8-11,16-17,20,22H,3-7,12-15H2,1-2H3,(H,29,31)(H,32,35)/t22-/m0/s1
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| InChIKey |
UPTHKGNCOWCZQD-QFIPXVFZSA-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