General Information of the Compound
| Compound ID |
CP0315192
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| Compound Name |
(3-((2-(2,6-dimorpholinopyrimidin-4-ylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol
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| Structure |
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| Formula |
C25H32N8O3
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| Molecular Weight |
492.584
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| Canonical SMILES |
CN(c1ccnc(Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
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| InChI |
InChI=1S/C25H32N8O3/c1-18-3-4-19(17-34)15-20(18)31(2)22-5-6-26-24(29-22)27-21-16-23(32-7-11-35-12-8-32)30-25(28-21)33-9-13-36-14-10-33/h3-6,15-16,34H,7-14,17H2,1-2H3,(H,26,27,28,29,30)
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| InChIKey |
YOYJOVLCPJZOQC-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