General Information of the Compound
| Compound ID |
CP0414673
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| Compound Name |
4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-(5-chloropyridin-2-yl)amino]butanoic acid
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| Structure |
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| Formula |
C23H22ClN3O4S
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| Molecular Weight |
471.966
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| Canonical SMILES |
CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)c1ccc(Cl)cn1
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| InChI |
InChI=1S/C23H22ClN3O4S/c1-23(10-12-27(23)21(30)17-14-32-18-6-3-2-5-16(17)18)22(31)26(11-4-7-20(28)29)19-9-8-15(24)13-25-19/h2-3,5-6,8-9,13-14H,4,7,10-12H2,1H3,(H,28,29)
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| InChIKey |
SZCCISVKRYFBNE-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