General Information of the Compound
| Compound ID |
CP0197638
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| Compound Name |
2-[[4-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoyl]amino]acetic acid
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| Structure |
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| Formula |
C31H25Cl3N2O5
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| Molecular Weight |
611.909
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| Canonical SMILES |
OC(=O)CNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
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| InChI |
InChI=1S/C31H25Cl3N2O5/c32-24-2-1-3-25(33)28(24)29-23(30(41-36-29)17-6-7-17)15-40-19-10-11-20(26(34)12-19)22-13-21(22)16-4-8-18(9-5-16)31(39)35-14-27(37)38/h1-5,8-12,17,21-22H,6-7,13-15H2,(H,35,39)(H,37,38)
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| InChIKey |
YTQLUZBGWZQARS-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