General Information of the Compound
| Compound ID |
CP0487790
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| Compound Name |
4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-pyridin-2-ylamino]butanoic acid
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| Structure |
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| Formula |
C23H23N3O4S
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| Molecular Weight |
437.521
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| Canonical SMILES |
CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)c1ccccn1
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| InChI |
InChI=1S/C23H23N3O4S/c1-23(22(30)25(13-6-10-20(27)28)19-9-4-5-12-24-19)11-14-26(23)21(29)17-15-31-18-8-3-2-7-16(17)18/h2-5,7-9,12,15H,6,10-11,13-14H2,1H3,(H,27,28)
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| InChIKey |
IGHPMGNQKGIERL-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