General Information of the Compound
| Compound ID |
CP0529681
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| Compound Name |
3-(4-((1-(2,3-dihydro-1H-inden-2-yl)-3-(4-(trifluoromethylthio)phenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C28H26F3N3O4S
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| Molecular Weight |
557.594
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C2Cc3ccccc3C2)C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C28H26F3N3O4S/c29-28(30,31)39-24-11-9-22(10-12-24)33-27(38)34(23-15-20-3-1-2-4-21(20)16-23)17-18-5-7-19(8-6-18)26(37)32-14-13-25(35)36/h1-12,23H,13-17H2,(H,32,37)(H,33,38)(H,35,36)
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| InChIKey |
SMZDOTGTGUTONB-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