General Information of the Compound
| Compound ID |
CP0428870
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| Compound Name |
4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-methylamino]butanoic acid
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| Structure |
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| Formula |
C19H22N2O4S
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| Molecular Weight |
374.462
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| Canonical SMILES |
CN(CCCC(O)=O)C(=O)C1(C)CCN1C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C19H22N2O4S/c1-19(18(25)20(2)10-5-8-16(22)23)9-11-21(19)17(24)14-12-26-15-7-4-3-6-13(14)15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,22,23)
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| InChIKey |
CBQBMHIAYXMOHE-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