General Information of the Compound
| Compound ID |
CP0139235
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| Compound Name |
2-N-[4-(4-chlorophenoxy)phenyl]pyridine-2,4-diamine
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| Structure |
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| Formula |
C17H14ClN3O
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| Molecular Weight |
311.772
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| Canonical SMILES |
Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
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| InChI |
InChI=1S/C17H14ClN3O/c18-12-1-5-15(6-2-12)22-16-7-3-14(4-8-16)21-17-11-13(19)9-10-20-17/h1-11H,(H3,19,20,21)
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| InChIKey |
UKTNDHDKOFVMKY-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