General Information of the Compound
| Compound ID |
CP0440348
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| Compound Name |
3-[[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]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C36H38F4N6O5
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| Molecular Weight |
710.729
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| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc(c3)C(=O)NCCC(O)=O)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C36H38F4N6O5/c1-23-32(44-17-15-43(16-18-44)20-24-7-5-10-26(19-24)33(49)42-14-13-31(47)48)34(50)46(22-30(41)25-8-3-2-4-9-25)35(51)45(23)21-27-28(36(38,39)40)11-6-12-29(27)37/h2-12,19,30H,13-18,20-22,41H2,1H3,(H,42,49)(H,47,48)/t30-/m0/s1
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| InChIKey |
AEBXJYAFHNBUGR-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