General Information of the Compound
| Compound ID |
CP0558860
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| Compound Name |
2-(3-cyclopropylpyrazin-2-yl)-6-[(5-ethylsulfonylpyridin-2-yl)methylamino]-8-propan-2-ylpteridin-7-one
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| Formula |
C24H26N8O3S
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| Molecular Weight |
506.592
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2nccnc2C2CC2)nc1
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| InChI |
InChI=1S/C24H26N8O3S/c1-4-36(34,35)17-8-7-16(27-12-17)11-28-22-24(33)32(14(2)3)23-18(30-22)13-29-21(31-23)20-19(15-5-6-15)25-9-10-26-20/h7-10,12-15H,4-6,11H2,1-3H3,(H,28,30)
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| InChIKey |
UCTGWVGKIXKHJU-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