General Information of the Compound
| Compound ID |
CP0921107
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| Compound Name |
2,6-difluoro-N-(3-(3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)phenyl)benzamide hydrochloride
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| Structure |
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| Formula |
C34H28ClF2N7O
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| Molecular Weight |
624.095
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| Canonical SMILES |
CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nc5ccccn45)n3)cc2C1.Cl
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| InChI |
InChI=1S/C34H27F2N7O.ClH/c1-42-17-14-21-11-12-25(19-23(21)20-42)39-34-37-15-13-28(40-34)32-31(41-29-10-2-3-16-43(29)32)22-6-4-7-24(18-22)38-33(44)30-26(35)8-5-9-27(30)36;/h2-13,15-16,18-19H,14,17,20H2,1H3,(H,38,44)(H,37,39,40);1H
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| InChIKey |
KYPPUOHHIJPYMG-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