General Information of the Compound
| Compound ID |
CP0548134
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| Compound Name |
4-{[(6-Bromo-3-cyclopropyl-2-phenylquinolin-4-yl)carbonyl]amino}-3-fluorobenzoic acid
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| Structure |
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| Formula |
C26H18BrFN2O3
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| Molecular Weight |
505.343
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| Canonical SMILES |
OC(=O)c1ccc(NC(=O)c2c(C3CC3)c(nc3ccc(Br)cc23)-c2ccccc2)c(F)c1
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| InChI |
InChI=1S/C26H18BrFN2O3/c27-17-9-11-20-18(13-17)23(25(31)30-21-10-8-16(26(32)33)12-19(21)28)22(14-6-7-14)24(29-20)15-4-2-1-3-5-15/h1-5,8-14H,6-7H2,(H,30,31)(H,32,33)
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| InChIKey |
LBIXBYRLJIDOKS-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