General Information of the Compound
| Compound ID |
CP0638656
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| Compound Name |
(S)-N-(1-(5-(2-fluorophenyl)-1H-imidazol-2-yl)-7-(5-methylisoxazol-3-yl)-7-oxoheptyl)-1-methylazetidine-3-carboxamide
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| Structure |
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| Formula |
C25H30FN5O3
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| Molecular Weight |
467.545
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| Canonical SMILES |
Cc1cc(C(=O)CCCCC[C@H](NC(=O)C2CN(C)C2)c2ncc(-c3ccccc3F)[nH]2)no1
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| InChI |
InChI=1S/C25H30FN5O3/c1-16-12-21(30-34-16)23(32)11-5-3-4-10-20(29-25(33)17-14-31(2)15-17)24-27-13-22(28-24)18-8-6-7-9-19(18)26/h6-9,12-13,17,20H,3-5,10-11,14-15H2,1-2H3,(H,27,28)(H,29,33)/t20-/m0/s1
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| InChIKey |
NWSMVLJLEXXRHR-FQEVSTJZSA-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