General Information of the Compound
| Compound ID |
CP0578933
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| Compound Name |
4-[(1S)-1-[[2-[(4-fluorophenyl)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 |
C24H22FNO4S
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| Molecular Weight |
439.508
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| Canonical SMILES |
C[C@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2COCCc12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H22FNO4S/c1-14(16-4-6-17(7-5-16)24(28)29)26-23(27)22-19-10-11-30-13-21(19)31-20(22)12-15-2-8-18(25)9-3-15/h2-9,14H,10-13H2,1H3,(H,26,27)(H,28,29)/t14-/m0/s1
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| InChIKey |
TVZKMOZWGZUOHV-AWEZNQCLSA-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