General Information of the Compound
| Compound ID |
CP0205326
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| Compound Name |
4-[(1R,2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]-N-methylsulfonylbenzamide
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| Structure |
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| Formula |
C30H25Cl3N2O5S
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| Molecular Weight |
631.965
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl
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| InChI |
InChI=1S/C30H25Cl3N2O5S/c1-41(37,38)35-30(36)18-9-5-16(6-10-18)21-14-22(21)20-12-11-19(13-26(20)33)39-15-23-28(34-40-29(23)17-7-8-17)27-24(31)3-2-4-25(27)32/h2-6,9-13,17,21-22H,7-8,14-15H2,1H3,(H,35,36)/t21-,22-/m0/s1
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| InChIKey |
RQKFFSAFDLENHQ-VXKWHMMOSA-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