General Information of the Compound
| Compound ID |
CP0223208
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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]ethanesulfonic acid
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| Structure |
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| Formula |
C31H27Cl3N2O6S
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| Molecular Weight |
661.991
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| Canonical SMILES |
OS(=O)(=O)CCNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
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| InChI |
InChI=1S/C31H27Cl3N2O6S/c32-25-2-1-3-26(33)28(25)29-24(30(42-36-29)18-6-7-18)16-41-20-10-11-21(27(34)14-20)23-15-22(23)17-4-8-19(9-5-17)31(37)35-12-13-43(38,39)40/h1-5,8-11,14,18,22-23H,6-7,12-13,15-16H2,(H,35,37)(H,38,39,40)
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| InChIKey |
KCIHDFUMQGXFFF-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