General Information of the Compound
| Compound ID |
CP0671637
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| Compound Name |
N-(3-(1-(((3S)-2-Hydroxy-5-oxotetrahydrofuran-3-yl)amino)-1-oxopropan-2-yl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-(quinoxalin-2-ylamino)benzamide
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| Structure |
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| Formula |
C29H29N7O7
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| Molecular Weight |
587.593
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| Canonical SMILES |
CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(C(C)C(=O)N[C@H]2CC(=O)OC2O)c1=O
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| InChI |
InChI=1S/C29H29N7O7/c1-15(2)35-14-22(27(40)36(29(35)42)16(3)25(38)33-21-12-24(37)43-28(21)41)34-26(39)17-8-10-18(11-9-17)31-23-13-30-19-6-4-5-7-20(19)32-23/h4-11,13-16,21,28,41H,12H2,1-3H3,(H,31,32)(H,33,38)(H,34,39)/t16?,21-,28?/m0/s1
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| InChIKey |
FVKXJHSWFBOVNU-SDSXGPMDSA-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