General Information of the Compound
| Compound ID |
CP0970536
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| Compound Name |
7-(2-(6-(4-amino-5-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrazin-2-yl)ethyl)-N-methylquinolin-2-amine
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| Structure |
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| Formula |
C27H28N8
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| Molecular Weight |
464.577
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| Canonical SMILES |
CNc1ccc2ccc(CCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)n3)cc2n1
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| InChI |
InChI=1S/C27H28N8/c1-29-23-11-9-19-8-6-17(12-22(19)34-23)7-10-20-13-30-14-24(33-20)35-15-21(18-4-2-3-5-18)25-26(28)31-16-32-27(25)35/h6,8-9,11-16,18H,2-5,7,10H2,1H3,(H,29,34)(H2,28,31,32)
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| InChIKey |
ALDOQUJXACXCNX-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