General Information of the Compound
| Compound ID |
CP0440340
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| Compound Name |
4-[2-[(1R)-1-amino-2-[3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2,6-dioxopyrimidin-1-yl]ethyl]phenoxy]butanoic acid
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| Structure |
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| Formula |
C36H38F4N6O7
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| Molecular Weight |
742.727
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| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)c(=O)n(C[C@H](N)c2ccccc2OCCCC(O)=O)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C36H38F4N6O7/c1-23-33(43-16-14-42(15-17-43)20-24-7-4-8-25(19-24)46(51)52)34(49)45(22-30(41)26-9-2-3-12-31(26)53-18-6-13-32(47)48)35(50)44(23)21-27-28(36(38,39)40)10-5-11-29(27)37/h2-5,7-12,19,30H,6,13-18,20-22,41H2,1H3,(H,47,48)/t30-/m0/s1
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| InChIKey |
YVKCGSJAEXXIHI-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