General Information of the Compound
| Compound ID |
CP0962479
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| Compound Name |
(S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)ethyl)-1-methylazetidine-3-carboxamide
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| Formula |
C20H23N5O2
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| Molecular Weight |
365.437
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| Canonical SMILES |
COc1nc2ccccc2cc1-c1cnc([C@H](C)NC(=O)C2CN(C)C2)[nH]1
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| InChI |
InChI=1S/C20H23N5O2/c1-12(22-19(26)14-10-25(2)11-14)18-21-9-17(23-18)15-8-13-6-4-5-7-16(13)24-20(15)27-3/h4-9,12,14H,10-11H2,1-3H3,(H,21,23)(H,22,26)/t12-/m0/s1
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| InChIKey |
KNJNHAKAIGYVER-LBPRGKRZSA-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
Protein ID: PT00995, Histone deacetylase 3