General Information of the Compound
| Compound ID |
CP0564319
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| Compound Name |
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C25H24FNO4S
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| Molecular Weight |
453.535
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| Canonical SMILES |
C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2CCOCc12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H24FNO4S/c1-15(17-5-7-18(8-6-17)25(29)30)27-24(28)23-20-14-31-13-12-21(20)32-22(23)11-4-16-2-9-19(26)10-3-16/h2-3,5-10,15H,4,11-14H2,1H3,(H,27,28)(H,29,30)/t15-/m0/s1
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| InChIKey |
DLXGYIHRKNZSHF-HNNXBMFYSA-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