General Information of the Compound
| Compound ID |
CP0951200
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| Compound Name |
3-amino-2-(5-methoxy-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 |
C31H36N6O3
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| Molecular Weight |
540.668
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](CN)c1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
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| InChI |
InChI=1S/C31H36N6O3/c1-5-6-10-26(29-33-17-27(35-29)22-14-19-9-7-8-11-24(19)37-31(22)40-4)36-30(38)23(16-32)28-18(2)34-25-13-12-20(39-3)15-21(25)28/h7-9,11-15,17,23,26,34H,5-6,10,16,32H2,1-4H3,(H,33,35)(H,36,38)/t23-,26+/m1/s1
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| InChIKey |
FIBXGIRQFZKTBU-BVAGGSTKSA-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