General Information of the Compound
| Compound ID |
CP0569368
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| Compound Name |
4-[[[2-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C23H26FNO4S
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| Molecular Weight |
431.529
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| Canonical SMILES |
OC(=O)C1CCC(CNC(=O)c2c(Cc3ccc(F)cc3)sc3COCCc23)CC1
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| InChI |
InChI=1S/C23H26FNO4S/c24-17-7-3-14(4-8-17)11-19-21(18-9-10-29-13-20(18)30-19)22(26)25-12-15-1-5-16(6-2-15)23(27)28/h3-4,7-8,15-16H,1-2,5-6,9-13H2,(H,25,26)(H,27,28)
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| InChIKey |
KMIWRSUGMHLKAW-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