General Information of the Compound
| Compound ID |
CP0537809
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H32F7N5O3
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| Molecular Weight |
667.626
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| Canonical SMILES |
Cc1cc(CN2CCN(CC2)c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c(o1)C(F)(F)F
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| InChI |
InChI=1S/C32H32F7N5O3/c1-19-15-22(28(47-19)32(37,38)39)16-41-11-13-42(14-12-41)27-20(2)43(17-23-24(31(34,35)36)9-6-10-25(23)33)30(46)44(29(27)45)18-26(40)21-7-4-3-5-8-21/h3-10,15,26H,11-14,16-18,40H2,1-2H3/t26-/m0/s1
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| InChIKey |
NAVRXMQJOBCIHH-SANMLTNESA-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