General Information of the Compound
| Compound ID |
CP0568147
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| Compound Name |
4-[(1S)-1-[[2-[(4-propan-2-ylphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C27H29NO4S
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| Molecular Weight |
463.599
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| Canonical SMILES |
CC(C)c1ccc(Cc2sc3COCCc3c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C27H29NO4S/c1-16(2)19-6-4-18(5-7-19)14-23-25(22-12-13-32-15-24(22)33-23)26(29)28-17(3)20-8-10-21(11-9-20)27(30)31/h4-11,16-17H,12-15H2,1-3H3,(H,28,29)(H,30,31)/t17-/m0/s1
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| InChIKey |
JFMLKOWYQAYEIU-KRWDZBQOSA-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