General Information of the Compound
| Compound ID |
CP0942943
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| Compound Name |
(S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)-5-(2-(methylthio)benzamido)pentyl)thiazole-5-carboxamide
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| Formula |
C30H30N6O3S2
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| Molecular Weight |
586.743
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| Canonical SMILES |
COc1nc2ccccc2cc1-c1cnc([C@H](CCCCNC(=O)c2ccccc2SC)NC(=O)c2cncs2)[nH]1
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| InChI |
InChI=1S/C30H30N6O3S2/c1-39-30-21(15-19-9-3-5-11-22(19)36-30)24-16-33-27(34-24)23(35-29(38)26-17-31-18-41-26)12-7-8-14-32-28(37)20-10-4-6-13-25(20)40-2/h3-6,9-11,13,15-18,23H,7-8,12,14H2,1-2H3,(H,32,37)(H,33,34)(H,35,38)/t23-/m0/s1
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| InChIKey |
PDHUHMPWDWKFCL-QHCPKHFHSA-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