General Information of the Compound
| Compound ID |
CP0163563
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| Compound Name |
3-cyclohexyl-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 |
C33H31Cl2N3O4
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| Molecular Weight |
604.534
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCCC1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C33H31Cl2N3O4/c1-19(2)31-24(30(37-42-31)29-25(34)9-6-10-26(29)35)18-41-23-14-11-20(12-15-23)32-36-27-16-13-21(33(39)40)17-28(27)38(32)22-7-4-3-5-8-22/h6,9-17,19,22H,3-5,7-8,18H2,1-2H3,(H,39,40)
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| InChIKey |
PHHBYBVJBFUUCM-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