General Information of the Compound
| Compound ID |
CP0414466
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| Compound Name |
3-(cyclopropylmethyl)-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 |
C31H27Cl2N3O4
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| Molecular Weight |
576.48
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC1CC1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C31H27Cl2N3O4/c1-17(2)29-22(28(35-40-29)27-23(32)4-3-5-24(27)33)16-39-21-11-8-19(9-12-21)30-34-25-13-10-20(31(37)38)14-26(25)36(30)15-18-6-7-18/h3-5,8-14,17-18H,6-7,15-16H2,1-2H3,(H,37,38)
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| InChIKey |
JFANKCLDOFXHRQ-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