General Information of the Compound
| Compound ID |
CP0413196
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| Compound Name |
[4-[[2-(3-amino-2-methylphenyl)-7H-purin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C23H23N7O2
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| Molecular Weight |
429.484
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| Canonical SMILES |
Cc1c(N)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
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| InChI |
InChI=1S/C23H23N7O2/c1-14-17(3-2-4-18(14)24)20-28-21-19(25-13-26-21)22(29-20)27-16-7-5-15(6-8-16)23(31)30-9-11-32-12-10-30/h2-8,13H,9-12,24H2,1H3,(H2,25,26,27,28,29)
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| InChIKey |
AOGMMPLPRHJTED-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