General Information of the Compound
| Compound ID |
CP0437666
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| Compound Name |
3-cyclopropyl-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 |
C30H25Cl2N3O4
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| Molecular Weight |
562.453
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CC1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C30H25Cl2N3O4/c1-16(2)28-21(27(34-39-28)26-22(31)4-3-5-23(26)32)15-38-20-11-6-17(7-12-20)29-33-24-13-8-18(30(36)37)14-25(24)35(29)19-9-10-19/h3-8,11-14,16,19H,9-10,15H2,1-2H3,(H,36,37)
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| InChIKey |
BXIUCNAFVDGKMK-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