General Information of the Compound
| Compound ID |
CP0258763
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| Compound Name |
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(3-methyl-2H-indazol-4-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C26H30N8O2
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| Molecular Weight |
486.58
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| Canonical SMILES |
Cc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
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| InChI |
InChI=1S/C26H30N8O2/c1-18-25-22(3-2-4-23(25)32-31-18)29-24-5-6-27-26(30-24)28-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,31,32)(H2,27,28,29,30)
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| InChIKey |
KOZGIAICDBAKOH-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