General Information of the Compound
| Compound ID |
CP0570640
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| Compound Name |
4-[[1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carbonyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
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| Structure |
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| Formula |
C27H31F3N2O4
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| Molecular Weight |
504.549
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| Canonical SMILES |
Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C27H31F3N2O4/c1-18-13-19(2)15-21(14-18)16-23(33)32-12-10-26(32,3)25(36)31(11-4-5-24(34)35)17-20-6-8-22(9-7-20)27(28,29)30/h6-9,13-15H,4-5,10-12,16-17H2,1-3H3,(H,34,35)
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| InChIKey |
IISRXBZYWKGMAS-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