General Information of the Compound
| Compound ID |
CP0007272
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(7-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenoxy)propan-2-ol
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| Structure |
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| Formula |
C25H26N4O2
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| Molecular Weight |
414.509
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| Canonical SMILES |
Cn1ccc2cnc(nc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C25H26N4O2/c1-28-11-9-20-14-26-24(27-25(20)28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-10-18-5-2-3-6-21(18)15-29/h2-9,11,13-14,22,30H,10,12,15-17H2,1H3
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| InChIKey |
NNEHUZIKNKWOGK-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