General Information of the Compound
| Compound ID |
CP0532906
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| Compound Name |
5-[4-[(3-acetylphenyl)methyl]piperazin-1-yl]-3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C34H35F4N5O3
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| Molecular Weight |
637.678
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| Canonical SMILES |
CC(=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/C34H35F4N5O3/c1-22-31(41-16-14-40(15-17-41)19-24-8-6-11-26(18-24)23(2)44)32(45)43(21-30(39)25-9-4-3-5-10-25)33(46)42(22)20-27-28(34(36,37)38)12-7-13-29(27)35/h3-13,18,30H,14-17,19-21,39H2,1-2H3/t30-/m0/s1
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| InChIKey |
ABQAARMKWWSMGM-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