General Information of the Compound
| Compound ID |
CP0006308
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| Compound Name |
2-(2-(2-((3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)amino)pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholinoethanone
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| Structure |
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| Formula |
C29H33N7O3
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| Molecular Weight |
527.629
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ncc2ccn(CC(=O)N3CCOCC3)c2n1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H33N7O3/c37-25(19-34-9-6-21-3-1-2-4-24(21)18-34)17-31-26-15-22(5-8-30-26)28-32-16-23-7-10-36(29(23)33-28)20-27(38)35-11-13-39-14-12-35/h1-5,7-8,10,15-16,25,37H,6,9,11-14,17-20H2,(H,30,31)
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| InChIKey |
WDLCOWKDUYFLOG-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