General Information of the Compound
| Compound ID |
CP0460596
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| Compound Name |
3-[[4-[1-[(2R)-2-amino-2-phenylethyl]-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-5-yl]piperazin-1-yl]methyl]-N-ethylbenzamide
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| Structure |
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| Formula |
C35H38F4N6O3
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| Molecular Weight |
666.72
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| Canonical SMILES |
CCNC(=O)c1cccc(CN2CCN(CC2)c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1
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| InChI |
InChI=1S/C35H38F4N6O3/c1-3-41-32(46)26-12-7-9-24(19-26)20-42-15-17-43(18-16-42)31-23(2)44(21-27-28(35(37,38)39)13-8-14-29(27)36)34(48)45(33(31)47)22-30(40)25-10-5-4-6-11-25/h4-14,19,30H,3,15-18,20-22,40H2,1-2H3,(H,41,46)/t30-/m0/s1
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| InChIKey |
XYEAMBBKHBNBBN-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