General Information of the Compound
| Compound ID |
CP0969846
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| Compound Name |
7-((5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-ethyl-N,N-dimethylquinolin-4-amine
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| Structure |
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| Formula |
C29H29N9O
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| Molecular Weight |
519.613
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| Canonical SMILES |
CCc1cc(N(C)C)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C29H29N9O/c1-5-19-11-26(36(2)3)22-7-6-21(12-25(22)34-19)39-16-18-10-20(14-31-13-18)38-15-23(24-8-9-37(4)35-24)27-28(30)32-17-33-29(27)38/h6-15,17H,5,16H2,1-4H3,(H2,30,32,33)
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| InChIKey |
PCTIEXVGOWXZJC-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