General Information of the Compound
| Compound ID |
CP0486824
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| Compound Name |
2-(5-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-1-(methoxymethyl)-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid
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| Structure |
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| Formula |
C25H22ClF3N2O5S
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| Molecular Weight |
554.974
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| Canonical SMILES |
COCn1cc(c2cc(OCCc3sc(nc3C)-c3ccc(Cl)cc3)ccc12)C(O)(C(O)=O)C(F)(F)F
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| InChI |
InChI=1S/C25H22ClF3N2O5S/c1-14-21(37-22(30-14)15-3-5-16(26)6-4-15)9-10-36-17-7-8-20-18(11-17)19(12-31(20)13-35-2)24(34,23(32)33)25(27,28)29/h3-8,11-12,34H,9-10,13H2,1-2H3,(H,32,33)
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| InChIKey |
VPFGNADKKJKVEG-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