General Information of the Compound
| Compound ID |
CP0450991
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| Compound Name |
2-N-[4-(4-chlorophenoxy)-3-methylphenyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H15ClN4O
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| Molecular Weight |
326.787
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| Canonical SMILES |
Cc1cc(Nc2nccc(N)n2)ccc1Oc1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H15ClN4O/c1-11-10-13(21-17-20-9-8-16(19)22-17)4-7-15(11)23-14-5-2-12(18)3-6-14/h2-10H,1H3,(H3,19,20,21,22)
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| InChIKey |
UBFIQTSBRZABKM-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha