General Information of the Compound
| Compound ID |
CP0532899
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| Compound Name |
2-[[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]acetic acid
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| Structure |
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| Formula |
C35H36F4N6O5
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| Molecular Weight |
696.702
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| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc(c3)C(=O)NCC(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/C35H36F4N6O5/c1-22-31(43-15-13-42(14-16-43)19-23-7-5-10-25(17-23)32(48)41-18-30(46)47)33(49)45(21-29(40)24-8-3-2-4-9-24)34(50)44(22)20-26-27(35(37,38)39)11-6-12-28(26)36/h2-12,17,29H,13-16,18-21,40H2,1H3,(H,41,48)(H,46,47)/t29-/m0/s1
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| InChIKey |
OIKDEKVIONUVOG-LJAQVGFWSA-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