General Information of the Compound
| Compound ID |
CP0965372
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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)-N-ethylquinolin-2-amine
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| Structure |
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| Formula |
C27H25N9O
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| Molecular Weight |
491.559
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| Canonical SMILES |
CCNc1ccc2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C27H25N9O/c1-3-30-24-7-5-18-4-6-20(11-23(18)33-24)37-15-17-10-19(13-29-12-17)36-14-21(22-8-9-35(2)34-22)25-26(28)31-16-32-27(25)36/h4-14,16H,3,15H2,1-2H3,(H,30,33)(H2,28,31,32)
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| InChIKey |
LNPSENHSUHUQAK-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