General Information of the Compound
| Compound ID |
CP0285685
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| Compound Name |
6,6,6-trifluoro-2-(3-(3-mesitylureido)-2-naphthamido)hexanoic acid
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| Structure |
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| Formula |
C27H28F3N3O4
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| Molecular Weight |
515.532
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(CCCC(F)(F)F)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C27H28F3N3O4/c1-15-11-16(2)23(17(3)12-15)33-26(37)32-22-14-19-8-5-4-7-18(19)13-20(22)24(34)31-21(25(35)36)9-6-10-27(28,29)30/h4-5,7-8,11-14,21H,6,9-10H2,1-3H3,(H,31,34)(H,35,36)(H2,32,33,37)
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| InChIKey |
LKYWLZDWXVGLMW-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