General Information of the Compound
| Compound ID |
CP0460713
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-(quinolin-8-ylmethyl)piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C35H34F4N6O2
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| Molecular Weight |
646.689
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| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc4cccnc34)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C35H34F4N6O2/c1-23-32(43-18-16-42(17-19-43)20-26-11-5-10-25-12-7-15-41-31(25)26)33(46)45(22-30(40)24-8-3-2-4-9-24)34(47)44(23)21-27-28(35(37,38)39)13-6-14-29(27)36/h2-15,30H,16-22,40H2,1H3/t30-/m0/s1
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| InChIKey |
FQMPNGUOKMMCEE-PMERELPUSA-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