General Information of the Compound
| Compound ID |
CP0191249
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| Compound Name |
3-[(1R,2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
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| Structure |
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| Formula |
C29H22Cl3NO4
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| Molecular Weight |
554.857
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| Canonical SMILES |
OC(=O)c1cccc(c1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
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| InChI |
InChI=1S/C29H22Cl3NO4/c30-23-5-2-6-24(31)26(23)27-22(28(37-33-27)15-7-8-15)14-36-18-9-10-19(25(32)12-18)21-13-20(21)16-3-1-4-17(11-16)29(34)35/h1-6,9-12,15,20-21H,7-8,13-14H2,(H,34,35)/t20-,21-/m0/s1
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| InChIKey |
HWOXGSYLOCRIMO-SFTDATJTSA-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