General Information of the Compound
| Compound ID |
CP0579246
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| Compound Name |
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C27H28FNO4S
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| Molecular Weight |
481.589
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| Canonical SMILES |
C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2COC(C)(C)Cc12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H28FNO4S/c1-16(18-7-9-19(10-8-18)26(31)32)29-25(30)24-21-14-27(2,3)33-15-23(21)34-22(24)13-6-17-4-11-20(28)12-5-17/h4-5,7-12,16H,6,13-15H2,1-3H3,(H,29,30)(H,31,32)/t16-/m0/s1
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| InChIKey |
BSWNEFIAQGNRNK-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