General Information of the Compound
| Compound ID |
CP0446906
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| Compound Name |
(4S)-1-benzyl-2-(isobutylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester
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| Structure |
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| Formula |
C25H28F3N3O2
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| Molecular Weight |
459.512
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| Canonical SMILES |
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCC(C)C)=N[C@H]1c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H28F3N3O2/c1-16(2)14-29-24-30-22(19-11-8-12-20(13-19)25(26,27)28)21(23(32)33-4)17(3)31(24)15-18-9-6-5-7-10-18/h5-13,16,22H,14-15H2,1-4H3,(H,29,30)/t22-/m0/s1
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| InChIKey |
DGLPNOOSWZMZEH-QFIPXVFZSA-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