General Information of the Compound
| Compound ID |
CP0558863
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| Compound Name |
2-(4-cyclopropyl-6-oxo-1H-pyrimidin-5-yl)-6-[(5-ethylsulfonylpyridin-2-yl)methylamino]-8-propan-2-ylpteridin-7-one
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| Formula |
C24H26N8O4S
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| Molecular Weight |
522.591
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(O)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C24H26N8O4S/c1-4-37(35,36)16-8-7-15(25-10-16)9-26-21-24(34)32(13(2)3)22-17(30-21)11-27-20(31-22)18-19(14-5-6-14)28-12-29-23(18)33/h7-8,10-14H,4-6,9H2,1-3H3,(H,26,30)(H,28,29,33)
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| InChIKey |
MLABGFBWVOMUGB-UHFFFAOYSA-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