General Information of the Compound
| Compound ID |
CP0485906
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| Compound Name |
8-[1-[4-(2-methylpropyl)phenyl]pyrrolidin-3-yl]oxy-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]quinolin-2-amine
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| Structure |
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| Formula |
C35H34F3N3O2
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| Molecular Weight |
585.67
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)N1CCC(C1)Oc1cccc2ccc(NCc3ccc(o3)-c3cccc(c3)C(F)(F)F)nc12
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| InChI |
InChI=1S/C35H34F3N3O2/c1-23(2)19-24-9-12-28(13-10-24)41-18-17-30(22-41)43-32-8-4-5-25-11-16-33(40-34(25)32)39-21-29-14-15-31(42-29)26-6-3-7-27(20-26)35(36,37)38/h3-16,20,23,30H,17-19,21-22H2,1-2H3,(H,39,40)
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| InChIKey |
UMGRNJVTKMXTOS-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