General Information of the Compound
| Compound ID |
CP0576838
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| Compound Name |
4-[(1S)-1-[[2-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C25H21ClF3NO5S
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| Molecular Weight |
539.959
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| Canonical SMILES |
C[C@H](NC(=O)c1c(Cc2ccc(OC(F)(F)F)c(Cl)c2)sc2COCCc12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H21ClF3NO5S/c1-13(15-3-5-16(6-4-15)24(32)33)30-23(31)22-17-8-9-34-12-21(17)36-20(22)11-14-2-7-19(18(26)10-14)35-25(27,28)29/h2-7,10,13H,8-9,11-12H2,1H3,(H,30,31)(H,32,33)/t13-/m0/s1
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| InChIKey |
AXIYAKOMWNUVNG-ZDUSSCGKSA-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