General Information of the Compound
| Compound ID |
CP0005070
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| Compound Name |
6-[2-(2-methylpropoxy)phenyl]-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C26H28N6O
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| Molecular Weight |
440.551
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| Canonical SMILES |
CC(C)COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1
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| InChI |
InChI=1S/C26H28N6O/c1-19(2)18-33-24-12-4-3-11-22(24)23-15-25(31-26(27)30-23)32(16-20-9-5-7-13-28-20)17-21-10-6-8-14-29-21/h3-15,19H,16-18H2,1-2H3,(H2,27,30,31)
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| InChIKey |
DJLCNNPBKVGKOP-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