General Information of the Compound
| Compound ID |
CP0454490
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| Compound Name |
4-[8-methyl-9-[(4-pyridin-3-ylphenyl)methyl]purin-6-yl]morpholine
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| Structure |
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| Formula |
C22H22N6O
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| Molecular Weight |
386.459
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| Canonical SMILES |
Cc1nc2c(ncnc2n1Cc1ccc(cc1)-c1cccnc1)N1CCOCC1
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| InChI |
InChI=1S/C22H22N6O/c1-16-26-20-21(27-9-11-29-12-10-27)24-15-25-22(20)28(16)14-17-4-6-18(7-5-17)19-3-2-8-23-13-19/h2-8,13,15H,9-12,14H2,1H3
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| InChIKey |
UKURLXUMKRHNLL-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