General Information of the Compound
| Compound ID |
CP0558865
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| Compound Name |
7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[(5-ethylsulfonylpyridin-2-yl)methylamino]-1-propan-2-ylpyrido[3,4-b]pyrazin-2-one
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| Formula |
C26H29N7O4S
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| Molecular Weight |
535.63
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(cc3n(C(C)C)c2=O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C26H29N7O4S/c1-5-38(35,36)18-9-8-17(27-12-18)11-29-24-26(34)33(15(2)3)21-10-19(28-13-20(21)32-24)22-23(16-6-7-16)30-14-31-25(22)37-4/h8-10,12-16H,5-7,11H2,1-4H3,(H,29,32)
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| InChIKey |
FSPSTBVKYLLGIH-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