General Information of the Compound
| Compound ID |
CP0075741
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| Compound Name |
1-(4-amino-2-propylquinolin-6-yl)-3-(4-(trifluoromethyl)benzyl)urea
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| Structure |
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| Formula |
C21H21F3N4O
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| Molecular Weight |
402.42
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| Canonical SMILES |
CCCc1cc(N)c2cc(NC(=O)NCc3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C21H21F3N4O/c1-2-3-15-11-18(25)17-10-16(8-9-19(17)27-15)28-20(29)26-12-13-4-6-14(7-5-13)21(22,23)24/h4-11H,2-3,12H2,1H3,(H2,25,27)(H2,26,28,29)
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| InChIKey |
QOFDDZVFIJZRMJ-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