General Information of the Compound
| Compound ID |
CP0543689
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| Compound Name |
3-[[[2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C24H20F3NO4S
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| Molecular Weight |
475.488
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| Canonical SMILES |
OC(=O)c1cccc(CNC(=O)c2c(Cc3cccc(c3)C(F)(F)F)sc3COCCc23)c1
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| InChI |
InChI=1S/C24H20F3NO4S/c25-24(26,27)17-6-2-3-14(10-17)11-19-21(18-7-8-32-13-20(18)33-19)22(29)28-12-15-4-1-5-16(9-15)23(30)31/h1-6,9-10H,7-8,11-13H2,(H,28,29)(H,30,31)
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| InChIKey |
BAUOBGFGWYGDIL-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