General Information of the Compound
| Compound ID |
CP0965923
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| Compound Name |
(S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)propyl)-1-methylazetidine-3-carboxamide
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
CC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
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| InChI |
InChI=1S/C21H25N5O2/c1-4-16(24-20(27)14-11-26(2)12-14)19-22-10-18(23-19)15-9-13-7-5-6-8-17(13)25-21(15)28-3/h5-10,14,16H,4,11-12H2,1-3H3,(H,22,23)(H,24,27)/t16-/m0/s1
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| InChIKey |
IDLZJSTWHFVINT-INIZCTEOSA-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