General Information of the Compound
| Compound ID |
CP0578379
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| Compound Name |
2-[(4-fluorophenyl)methyl]-N-[(1S)-1-[4-[methoxy(methyl)carbamoyl]phenyl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
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| Structure |
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| Formula |
C26H27FN2O4S
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| Molecular Weight |
482.577
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| Canonical SMILES |
CON(C)C(=O)c1ccc(cc1)[C@H](C)NC(=O)c1c(Cc2ccc(F)cc2)sc2COCCc12
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| InChI |
InChI=1S/C26H27FN2O4S/c1-16(18-6-8-19(9-7-18)26(31)29(2)32-3)28-25(30)24-21-12-13-33-15-23(21)34-22(24)14-17-4-10-20(27)11-5-17/h4-11,16H,12-15H2,1-3H3,(H,28,30)/t16-/m0/s1
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| InChIKey |
WKGPYXIFZKUNFY-INIZCTEOSA-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