General Information of the Compound
| Compound ID |
CP0145057
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| Compound Name |
3-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-(1-methyl-1H-tetrazol-5-yl)isoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C25H24ClN5O4S
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| Molecular Weight |
526.018
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| Canonical SMILES |
CC(C)c1onc(CSc2nnnn2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C25H24ClN5O4S/c1-15(2)23-20(22(28-35-23)14-36-25-27-29-30-31(25)3)13-34-19-10-9-17(21(26)12-19)8-7-16-5-4-6-18(11-16)24(32)33/h4-12,15H,13-14H2,1-3H3,(H,32,33)/b8-7+
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| InChIKey |
MGRUGMCSOGZDHZ-BQYQJAHWSA-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