General Information of the Compound
| Compound ID |
CP0906813
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| Compound Name |
3-amino-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-((S)-1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)pentyl)propanamide
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| Formula |
C30H34N6O3
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| Molecular Weight |
526.641
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](CN)c1c(C)[nH]c2ccc(O)cc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
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| InChI |
InChI=1S/C30H34N6O3/c1-4-5-9-25(35-29(38)22(15-31)27-17(2)33-24-12-11-19(37)14-20(24)27)28-32-16-26(34-28)21-13-18-8-6-7-10-23(18)36-30(21)39-3/h6-8,10-14,16,22,25,33,37H,4-5,9,15,31H2,1-3H3,(H,32,34)(H,35,38)/t22-,25+/m1/s1
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| InChIKey |
JTWPJSNVYHZOPL-RDGATRHJSA-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
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2