General Information of the Compound
| Compound ID |
CP0951199
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| Compound Name |
(S)-2-(1H-indol-3-yl)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)pentyl)acetamide
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| Formula |
C28H29N5O2
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| Molecular Weight |
467.573
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| Canonical SMILES |
CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
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| InChI |
InChI=1S/C28H29N5O2/c1-3-4-11-24(31-26(34)15-19-16-29-23-13-8-6-10-20(19)23)27-30-17-25(32-27)21-14-18-9-5-7-12-22(18)33-28(21)35-2/h5-10,12-14,16-17,24,29H,3-4,11,15H2,1-2H3,(H,30,32)(H,31,34)/t24-/m0/s1
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| InChIKey |
VNLUEMMOFCPORO-DEOSSOPVSA-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