General Information of the Compound
| Compound ID |
CP0524481
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| Compound Name |
2,2-dimethyl-N-[2-methyl-3-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]phenyl]propanamide
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| Structure |
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| Formula |
C28H31N7O3
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| Molecular Weight |
513.602
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| Canonical SMILES |
Cc1c(NC(=O)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
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| InChI |
InChI=1S/C28H31N7O3/c1-17-20(6-5-7-21(17)32-27(37)28(2,3)4)23-33-24-22(29-16-30-24)25(34-23)31-19-10-8-18(9-11-19)26(36)35-12-14-38-15-13-35/h5-11,16H,12-15H2,1-4H3,(H,32,37)(H2,29,30,31,33,34)
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| InChIKey |
WPTWJMVWWVZNDS-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