General Information of the Compound
| Compound ID |
CP0914177
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| Compound Name |
(S)-2-(5-methoxy-1H-indol-3-yl)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)pentyl)acetamide
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| Formula |
C29H31N5O3
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| Molecular Weight |
497.599
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| Canonical SMILES |
CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
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| InChI |
InChI=1S/C29H31N5O3/c1-4-5-9-25(32-27(35)14-19-16-30-24-12-11-20(36-2)15-21(19)24)28-31-17-26(33-28)22-13-18-8-6-7-10-23(18)34-29(22)37-3/h6-8,10-13,15-17,25,30H,4-5,9,14H2,1-3H3,(H,31,33)(H,32,35)/t25-/m0/s1
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| InChIKey |
VVNODFNJOACYSH-VWLOTQADSA-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