General Information of the Compound
| Compound ID |
CP0282590
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| Compound Name |
2-[4-[4-[[7-(2,4-dimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C28H32N6O4
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| Molecular Weight |
516.602
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| Canonical SMILES |
COc1ccc(-c2ccc3cnc(Nc4ccc(cc4OC)C4CCN(CC(N)=O)CC4)nn23)c(OC)c1
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| InChI |
InChI=1S/C28H32N6O4/c1-36-21-6-7-22(25(15-21)37-2)24-9-5-20-16-30-28(32-34(20)24)31-23-8-4-19(14-26(23)38-3)18-10-12-33(13-11-18)17-27(29)35/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,29,35)(H,31,32)
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| InChIKey |
QSUYIPABXMWKIL-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