General Information of the Compound
| Compound ID |
CP0559023
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| Compound Name |
[4-[[2-(2,3-dimethylphenyl)-7H-purin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C24H24N6O2
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| Molecular Weight |
428.496
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| Canonical SMILES |
Cc1cccc(c1C)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
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| InChI |
InChI=1S/C24H24N6O2/c1-15-4-3-5-19(16(15)2)21-28-22-20(25-14-26-22)23(29-21)27-18-8-6-17(7-9-18)24(31)30-10-12-32-13-11-30/h3-9,14H,10-13H2,1-2H3,(H2,25,26,27,28,29)
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| InChIKey |
PCQHZIRDQUSESK-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