General Information of the Compound
| Compound ID |
CP0341825
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| Compound Name |
methyl 1-[6-[3-[4-(trifluoromethyl)phenyl]propanoylamino]quinolin-2-yl]pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C25H24F3N3O3
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| Molecular Weight |
471.479
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| Canonical SMILES |
COC(=O)C1CCCN1c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C25H24F3N3O3/c1-34-24(33)21-3-2-14-31(21)22-12-7-17-15-19(10-11-20(17)30-22)29-23(32)13-6-16-4-8-18(9-5-16)25(26,27)28/h4-5,7-12,15,21H,2-3,6,13-14H2,1H3,(H,29,32)
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| InChIKey |
XNPILZWANOBMQM-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