General Information of the Compound
| Compound ID |
CP0050329
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| Compound Name |
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-(difluoromethyl)-1H-pyrazol-3-yl)-1H-benzo[d]imidazol-2-amine
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| Structure |
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| Formula |
C15H13F2N9
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| Molecular Weight |
357.328
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| Canonical SMILES |
Cc1nc(N)nc(n1)-n1c(Nc2ccn(n2)C(F)F)nc2ccccc12
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| InChI |
InChI=1S/C15H13F2N9/c1-8-19-13(18)23-14(20-8)26-10-5-3-2-4-9(10)21-15(26)22-11-6-7-25(24-11)12(16)17/h2-7,12H,1H3,(H,21,22,24)(H2,18,19,20,23)
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| InChIKey |
BWVQDRRLGFHKGN-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