General Information of the Compound
| Compound ID |
CP0558866
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| Compound Name |
7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[(5-ethylsulfonylpyridin-2-yl)methylamino]-1-propan-2-ylquinoxalin-2-one
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| Formula |
C27H30N6O4S
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| Molecular Weight |
534.642
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3ccc(cc3n(C(C)C)c2=O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C27H30N6O4S/c1-5-38(35,36)20-10-9-19(28-14-20)13-29-25-27(34)33(16(2)3)22-12-18(8-11-21(22)32-25)23-24(17-6-7-17)30-15-31-26(23)37-4/h8-12,14-17H,5-7,13H2,1-4H3,(H,29,32)
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| InChIKey |
GNLUXIZINMPUOY-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