General Information of the Compound
| Compound ID |
CP0570639
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| Compound Name |
4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[2-(4-chlorophenyl)ethyl]amino]butanoic acid
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| Structure |
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| Formula |
C26H27ClN2O4S
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| Molecular Weight |
499.032
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| Canonical SMILES |
CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)CCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H27ClN2O4S/c1-26(13-16-29(26)24(32)21-17-34-22-6-3-2-5-20(21)22)25(33)28(14-4-7-23(30)31)15-12-18-8-10-19(27)11-9-18/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3,(H,30,31)
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| InChIKey |
SICKJBYKPGPJRX-UHFFFAOYSA-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