General Information of the Compound
| Compound ID |
CP0414671
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| Compound Name |
4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-cyclohexylamino]butanoic acid
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| Structure |
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| Formula |
C24H30N2O4S
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| Molecular Weight |
442.581
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| Canonical SMILES |
CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)C1CCCCC1
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| InChI |
InChI=1S/C24H30N2O4S/c1-24(23(30)25(14-7-12-21(27)28)17-8-3-2-4-9-17)13-15-26(24)22(29)19-16-31-20-11-6-5-10-18(19)20/h5-6,10-11,16-17H,2-4,7-9,12-15H2,1H3,(H,27,28)
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| InChIKey |
KZKCOXFNUHITLC-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