General Information of the Compound
| Compound ID |
CP0579647
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| Compound Name |
4-[(1S)-1-[[2-[(2,4-dichloro-5-fluorophenyl)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 |
C24H20Cl2FNO4S
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| Molecular Weight |
508.398
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| Canonical SMILES |
C[C@H](NC(=O)c1c(Cc2cc(F)c(Cl)cc2Cl)sc2COCCc12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H20Cl2FNO4S/c1-12(13-2-4-14(5-3-13)24(30)31)28-23(29)22-16-6-7-32-11-21(16)33-20(22)9-15-8-19(27)18(26)10-17(15)25/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,28,29)(H,30,31)/t12-/m0/s1
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| InChIKey |
QVMKPYVRZHLNNN-LBPRGKRZSA-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