General Information of the Compound
| Compound ID |
CP0579291
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| Compound Name |
methyl 4-[(1S)-1-[[2-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoate
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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 |
COC(=O)c1ccc(cc1)[C@H](C)NC(=O)c1c(Cc2ccc(F)cc2)sc2COCCc12
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| InChI |
InChI=1S/C25H24FNO4S/c1-15(17-5-7-18(8-6-17)25(29)30-2)27-24(28)23-20-11-12-31-14-22(20)32-21(23)13-16-3-9-19(26)10-4-16/h3-10,15H,11-14H2,1-2H3,(H,27,28)/t15-/m0/s1
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| InChIKey |
ULRKJNSPFNGHGW-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