General Information of the Compound
| Compound ID |
CP0102613
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| Compound Name |
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C26H32N6O2
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| Molecular Weight |
460.582
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| Canonical SMILES |
CN(c1cccc(C)c1)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
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| InChI |
InChI=1S/C26H32N6O2/c1-20-4-3-5-22(16-20)30(2)25-6-7-27-26(29-25)28-21-17-23(31-8-12-33-13-9-31)19-24(18-21)32-10-14-34-15-11-32/h3-7,16-19H,8-15H2,1-2H3,(H,27,28,29)
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| InChIKey |
GHGWDSZSHZNVLE-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