General Information of the Compound
| Compound ID |
CP0566195
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| Compound Name |
2-[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]acetic acid
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| Structure |
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| Formula |
C34H34F4N6O7
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| Molecular Weight |
714.673
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| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)c(=O)n(C[C@H](N)c2ccccc2OCC(O)=O)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C34H34F4N6O7/c1-21-31(41-14-12-40(13-15-41)17-22-6-4-7-23(16-22)44(49)50)32(47)43(19-28(39)24-8-2-3-11-29(24)51-20-30(45)46)33(48)42(21)18-25-26(34(36,37)38)9-5-10-27(25)35/h2-11,16,28H,12-15,17-20,39H2,1H3,(H,45,46)/t28-/m0/s1
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| InChIKey |
FCQRPNDOVQWCRQ-NDEPHWFRSA-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