General Information of the Compound
| Compound ID |
CP0002515
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| Compound Name |
6-(4-fluoro-2-methoxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C23H21FN6O
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| Molecular Weight |
416.46
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| Canonical SMILES |
COc1cc(F)ccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1
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| InChI |
InChI=1S/C23H21FN6O/c1-31-21-12-16(24)8-9-19(21)20-13-22(29-23(25)28-20)30(14-17-6-2-4-10-26-17)15-18-7-3-5-11-27-18/h2-13H,14-15H2,1H3,(H2,25,28,29)
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| InChIKey |
DADBTYOWXSZAHW-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