General Information of the Compound
| Compound ID |
CP0463545
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-[[3-(1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C35H34F4N6O3
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| Molecular Weight |
662.688
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| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc(c3)-c3ncco3)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C35H34F4N6O3/c1-23-31(43-16-14-42(15-17-43)20-24-7-5-10-26(19-24)32-41-13-18-48-32)33(46)45(22-30(40)25-8-3-2-4-9-25)34(47)44(23)21-27-28(35(37,38)39)11-6-12-29(27)36/h2-13,18-19,30H,14-17,20-22,40H2,1H3/t30-/m0/s1
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| InChIKey |
BHFTWRYIQZOYON-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