General Information of the Compound
| Compound ID |
CP0964923
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| Compound Name |
1-((1-acryloyl-3-fluoroazetidin-3-yl)methyl)-7-chloro-4-(2,6-diisopropylphenyl)-6-(3-hydroxynaphthalen-1-yl)pyrido[2,3-b]pyrazine-2,3(1H,4H)-dione
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| Formula |
C36H34ClFN4O4
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| Molecular Weight |
641.143
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| Canonical SMILES |
C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C(C)C)cccc3C(C)C)c3nc(-c4cc(O)cc5ccccc45)c(Cl)cc32)C1
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| InChI |
InChI=1S/C36H34ClFN4O4/c1-6-30(44)40-17-36(38,18-40)19-41-29-16-28(37)31(27-15-23(43)14-22-10-7-8-11-26(22)27)39-33(29)42(35(46)34(41)45)32-24(20(2)3)12-9-13-25(32)21(4)5/h6-16,20-21,43H,1,17-19H2,2-5H3
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| InChIKey |
IXLJWRSHVGHZOJ-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