General Information of the Compound
| Compound ID |
CP0315764
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| Compound Name |
N-[3-[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]cyclopropyl]-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl]-4-(quinoxalin-2-ylamino)benzamide
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| Structure |
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| Formula |
C30H29N7O7
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| Molecular Weight |
599.604
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| Canonical SMILES |
CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O
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| InChI |
InChI=1S/C30H29N7O7/c1-16(2)36-15-22(26(40)37(29(36)43)30(11-12-30)28(42)35-21-13-24(38)44-27(21)41)34-25(39)17-7-9-18(10-8-17)32-23-14-31-19-5-3-4-6-20(19)33-23/h3-10,14-16,21,27,41H,11-13H2,1-2H3,(H,32,33)(H,34,39)(H,35,42)/t21-,27?/m0/s1
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| InChIKey |
VCLBBDAIKKHTIS-LWAJAQLZSA-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