General Information of the Compound
| Compound ID |
CP0456583
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| Compound Name |
3-[[1-benzothiophene-2-carbonyl-[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C25H20FNO3S
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| Molecular Weight |
433.504
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| Canonical SMILES |
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2s1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H20FNO3S/c1-16(18-9-11-21(26)12-10-18)27(15-17-5-4-7-20(13-17)25(29)30)24(28)23-14-19-6-2-3-8-22(19)31-23/h2-14,16H,15H2,1H3,(H,29,30)/t16-/m1/s1
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| InChIKey |
BJMKTEHRZVHMNO-MRXNPFEDSA-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