General Information of the Compound
| Compound ID |
CP0010865
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((4-(7-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyridin-2-yl)amino)propan-2-ol
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| Structure |
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| Formula |
C24H26N6O
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| Molecular Weight |
414.513
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| Canonical SMILES |
Cn1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C24H26N6O/c1-29-10-7-19-13-27-23(28-24(19)29)18-6-9-25-22(12-18)26-14-21(31)16-30-11-8-17-4-2-3-5-20(17)15-30/h2-7,9-10,12-13,21,31H,8,11,14-16H2,1H3,(H,25,26)
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| InChIKey |
NQMDFLAWMADNQY-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