General Information of the Compound
| Compound ID |
CP0969589
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| Compound Name |
7-(2-(5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)ethyl)-N-methylquinolin-2-amine
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| Formula |
C23H21N7
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| Molecular Weight |
395.47
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| Canonical SMILES |
CNc1ccc2ccc(CCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C23H21N7/c1-25-21-7-6-17-5-4-15(11-20(17)29-21)2-3-16-10-18(13-26-12-16)30-9-8-19-22(24)27-14-28-23(19)30/h4-14H,2-3H2,1H3,(H,25,29)(H2,24,27,28)
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| InChIKey |
YHZYPKWTCPOYBQ-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