General Information of the Compound
| Compound ID |
CP0546285
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| Compound Name |
2-methyl-2-(2-(3-pentyl-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)propanoic acid
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| Structure |
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| Formula |
C26H31F3N2O4S
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| Molecular Weight |
524.605
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| Canonical SMILES |
CCCCCN(C(=O)NC1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H31F3N2O4S/c1-4-5-6-13-31(20-8-10-21(11-9-20)35-26(27,28)29)24(34)30-19-14-17-7-12-22(16-18(17)15-19)36-25(2,3)23(32)33/h7-12,16,19H,4-6,13-15H2,1-3H3,(H,30,34)(H,32,33)
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| InChIKey |
SFXGUQFVLCSTRX-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