General Information of the Compound
| Compound ID |
CP0969459
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| Compound Name |
1-((1-acryloyl-3-fluoroazetidin-3-yl)methyl)-7-chloro-6-(2-fluorophenyl)-4-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-b]pyrazine-2,3(1H,4H)-dione
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| Formula |
C29H26ClF2N5O3
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| Molecular Weight |
566.008
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| Canonical SMILES |
C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc32)C1
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| InChI |
InChI=1S/C29H26ClF2N5O3/c1-5-22(38)35-13-29(32,14-35)15-36-21-12-19(30)24(18-8-6-7-9-20(18)31)34-26(21)37(28(40)27(36)39)25-17(4)10-11-33-23(25)16(2)3/h5-12,16H,1,13-15H2,2-4H3
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| InChIKey |
PMXJKTZZNXKQDL-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