General Information of the Compound
| Compound ID |
CP0950524
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| Compound Name |
N1-(7-((5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-isopropylquinazolin-4-yl)-N2,N2-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C27H31N9O
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| Molecular Weight |
497.607
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| Canonical SMILES |
CC(C)c1nc(NCCN(C)C)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C27H31N9O/c1-17(2)25-33-23-12-20(5-6-21(23)26(34-25)30-8-10-35(3)4)37-15-18-11-19(14-29-13-18)36-9-7-22-24(28)31-16-32-27(22)36/h5-7,9,11-14,16-17H,8,10,15H2,1-4H3,(H2,28,31,32)(H,30,33,34)
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| InChIKey |
SKRNODJWGSOHNU-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