General Information of the Compound
| Compound ID |
CP0876836
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| Compound Name |
N-(5-Chloro-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)-N'-(4-trifluoromethyl-pyridin-2-yl)-ethane-1,2-diamine
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| Structure |
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| Formula |
C18H16ClF3N6
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| Molecular Weight |
408.815
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| Canonical SMILES |
Cc1nc(-c2ccccn2)nc(NCCNc2cc(C(F)(F)F)ccn2)c1Cl
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| InChI |
InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-6-23-13)26-9-8-25-14-10-12(5-7-24-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,25)(H,26,27,28)
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| InChIKey |
PIGNPPHWGMQQRO-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