General Information of the Compound
| Compound ID |
CP0367477
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| Compound Name |
3-(1-acetylpiperidin-4-yl)-2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]benzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C34H32Cl2N4O5
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| Molecular Weight |
647.559
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCN(CC1)C(C)=O)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C34H32Cl2N4O5/c1-19(2)32-25(31(38-45-32)30-26(35)5-4-6-27(30)36)18-44-24-10-7-21(8-11-24)33-37-28-12-9-22(34(42)43)17-29(28)40(33)23-13-15-39(16-14-23)20(3)41/h4-12,17,19,23H,13-16,18H2,1-3H3,(H,42,43)
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| InChIKey |
HCERHESKDIZBQR-UHFFFAOYSA-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: PT01286, Bile acid receptor
Protein ID: PT02378, Vitamin D3 receptor