General Information of the Compound
| Compound ID |
CP0160000
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| Compound Name |
2-(8-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-6-methylchroman-5-yloxy)acetic acid
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| Structure |
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| Formula |
C27H25F3O5S
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| Molecular Weight |
518.553
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| Canonical SMILES |
Cc1cc(SCc2ccc(OCc3ccc(cc3)C(F)(F)F)cc2)c2OCCCc2c1OCC(O)=O
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| InChI |
InChI=1S/C27H25F3O5S/c1-17-13-23(26-22(3-2-12-33-26)25(17)35-15-24(31)32)36-16-19-6-10-21(11-7-19)34-14-18-4-8-20(9-5-18)27(28,29)30/h4-11,13H,2-3,12,14-16H2,1H3,(H,31,32)
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| InChIKey |
KOEHFAAAJFPVKP-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