General Information of the Compound
| Compound ID |
CP0420225
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| Compound Name |
4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
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| Structure |
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| Formula |
C26H25F3N2O4S
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| Molecular Weight |
518.557
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| Canonical SMILES |
CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F3N2O4S/c1-25(12-14-31(25)23(34)20-16-36-21-6-3-2-5-19(20)21)24(35)30(13-4-7-22(32)33)15-17-8-10-18(11-9-17)26(27,28)29/h2-3,5-6,8-11,16H,4,7,12-15H2,1H3,(H,32,33)
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| InChIKey |
VBVKYPBOJUVVQY-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