General Information of the Compound
| Compound ID |
CP0105791
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| Compound Name |
4-N-(2H-benzotriazol-4-yl)-2-N-(3,5-dimorpholin-4-ylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C24H27N9O2
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| Molecular Weight |
473.541
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| Canonical SMILES |
C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4nn[nH]c34)n2)cc(c1)N1CCOCC1
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| InChI |
InChI=1S/C24H27N9O2/c1-2-20(23-21(3-1)29-31-30-23)27-22-4-5-25-24(28-22)26-17-14-18(32-6-10-34-11-7-32)16-19(15-17)33-8-12-35-13-9-33/h1-5,14-16H,6-13H2,(H,29,30,31)(H2,25,26,27,28)
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| InChIKey |
JGQSHVPEBCAWDV-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