General Information of the Compound
| Compound ID |
CP0387524
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| Compound Name |
2-[4-[4-[(7-quinolin-8-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C28H27N7O
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| Molecular Weight |
477.572
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| Canonical SMILES |
NC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4cccc5cccnc45)n3n2)cc1
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| InChI |
InChI=1S/C28H27N7O/c29-26(36)18-34-15-12-20(13-16-34)19-6-8-22(9-7-19)32-28-31-17-23-10-11-25(35(23)33-28)24-5-1-3-21-4-2-14-30-27(21)24/h1-11,14,17,20H,12-13,15-16,18H2,(H2,29,36)(H,32,33)
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| InChIKey |
SMOLATMZTWOLFX-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