General Information of the Compound
| Compound ID |
CP0970532
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| Compound Name |
7-((5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-ethyl-N-(2-methoxyethyl)quinolin-4-amine
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| Structure |
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| Formula |
C26H27N7O2
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| Molecular Weight |
469.549
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| Canonical SMILES |
CCc1cc(NCCOC)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C26H27N7O2/c1-3-18-11-23(29-7-9-34-2)21-5-4-20(12-24(21)32-18)35-15-17-10-19(14-28-13-17)33-8-6-22-25(27)30-16-31-26(22)33/h4-6,8,10-14,16H,3,7,9,15H2,1-2H3,(H,29,32)(H2,27,30,31)
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| InChIKey |
AWGOCXNHIILJKD-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