General Information of the Compound
| Compound ID |
CP0450355
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| Compound Name |
4-(2-bromo-4-propan-2-ylphenyl)-8-(dimethylamino)-1-[(E)-4-fluorobut-2-enyl]-6-methyl-3H-pyrido[2,3-b]pyrazin-2-one
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| Structure |
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| Formula |
C23H28BrFN4O
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| Molecular Weight |
475.406
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| Canonical SMILES |
CC(C)c1ccc(N2CC(=O)N(C\C=C\CF)c3c(cc(C)nc23)N(C)C)c(Br)c1
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| InChI |
InChI=1S/C23H28BrFN4O/c1-15(2)17-8-9-19(18(24)13-17)29-14-21(30)28(11-7-6-10-25)22-20(27(4)5)12-16(3)26-23(22)29/h6-9,12-13,15H,10-11,14H2,1-5H3/b7-6+
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| InChIKey |
WGWSTHSUUAGNHW-VOTSOKGWSA-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