General Information of the Compound
| Compound ID |
CP0959229
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| Compound Name |
N1-(7-((5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-cyclobutylquinolin-4-yl)-N2,N2-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C29H32N8O
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| Molecular Weight |
508.63
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| Canonical SMILES |
CN(C)CCNc1cc(C2CCC2)nc2cc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)ccc12
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| InChI |
InChI=1S/C29H32N8O/c1-36(2)11-9-32-26-14-25(20-4-3-5-20)35-27-13-22(6-7-23(26)27)38-17-19-12-21(16-31-15-19)37-10-8-24-28(30)33-18-34-29(24)37/h6-8,10,12-16,18,20H,3-5,9,11,17H2,1-2H3,(H,32,35)(H2,30,33,34)
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| InChIKey |
TWCDYJKRWBIRME-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