General Information of the Compound
| Compound ID |
CP0525557
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| Compound Name |
3-cyclopentyl-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 |
C32H29Cl2N3O4
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| Molecular Weight |
590.507
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCC1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C32H29Cl2N3O4/c1-18(2)30-23(29(36-41-30)28-24(33)8-5-9-25(28)34)17-40-22-13-10-19(11-14-22)31-35-26-15-12-20(32(38)39)16-27(26)37(31)21-6-3-4-7-21/h5,8-16,18,21H,3-4,6-7,17H2,1-2H3,(H,38,39)
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| InChIKey |
JBPKSCNDJZGZJC-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