General Information of the Compound
| Compound ID |
CP0369740
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| Compound Name |
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(1H-indol-4-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C26H29N7O2
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| Molecular Weight |
471.565
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| Canonical SMILES |
C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4[nH]ccc34)n2)cc(c1)N1CCOCC1
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| InChI |
InChI=1S/C26H29N7O2/c1-2-23-22(4-6-27-23)24(3-1)30-25-5-7-28-26(31-25)29-19-16-20(32-8-12-34-13-9-32)18-21(17-19)33-10-14-35-15-11-33/h1-7,16-18,27H,8-15H2,(H2,28,29,30,31)
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| InChIKey |
WZSPEUXTQGLMHA-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