General Information of the Compound
| Compound ID |
CP0179426
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| Compound Name |
N-[3-[2-[4-(3-morpholin-4-ylpropoxy)anilino]purin-9-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H29N7O3
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| Molecular Weight |
499.575
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| Canonical SMILES |
C=CC(=O)Nc1cccc(c1)-n1cnc2cnc(Nc3ccc(OCCCN4CCOCC4)cc3)nc12
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| InChI |
InChI=1S/C27H29N7O3/c1-2-25(35)30-21-5-3-6-22(17-21)34-19-29-24-18-28-27(32-26(24)34)31-20-7-9-23(10-8-20)37-14-4-11-33-12-15-36-16-13-33/h2-3,5-10,17-19H,1,4,11-16H2,(H,30,35)(H,28,31,32)
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| InChIKey |
GRFLNJQUUYUWKX-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