General Information of the Compound
| Compound ID |
CP0414469
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| Compound Name |
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylbenzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C28H23Cl2N3O4
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| Molecular Weight |
536.415
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2cc(ccc2n1C)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H23Cl2N3O4/c1-15(2)26-19(25(32-37-26)24-20(29)5-4-6-21(24)30)14-36-18-10-7-16(8-11-18)27-31-22-13-17(28(34)35)9-12-23(22)33(27)3/h4-13,15H,14H2,1-3H3,(H,34,35)
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| InChIKey |
KGWSPIGKIWEXQN-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