General Information of the Compound
| Compound ID |
CP0970268
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| Compound Name |
1-((1-acryloyl-3-fluoroazetidin-3-yl)methyl)-7-chloro-6-(3,6-difluoro-2-hydroxyphenyl)-4-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-b]pyrazine-2,3(1H,4H)-dione
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| Formula |
C29H25ClF3N5O4
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| Molecular Weight |
599.997
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| Canonical SMILES |
C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(F)ccc(F)c4O)c(Cl)cc32)C1
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| InChI |
InChI=1S/C29H25ClF3N5O4/c1-5-20(39)36-11-29(33,12-36)13-37-19-10-16(30)23(21-17(31)6-7-18(32)25(21)40)35-26(19)38(28(42)27(37)41)24-15(4)8-9-34-22(24)14(2)3/h5-10,14,40H,1,11-13H2,2-4H3
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| InChIKey |
HVEKXRMWESNOSE-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