General Information of the Compound
| Compound ID |
CP0407405
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| Compound Name |
2-N-phenyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C18H16N8S
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| Molecular Weight |
376.449
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| Canonical SMILES |
Nc1nc(CSc2nnc([nH]2)-c2ccccc2)nc(Nc2ccccc2)n1
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| InChI |
InChI=1S/C18H16N8S/c19-16-21-14(22-17(24-16)20-13-9-5-2-6-10-13)11-27-18-23-15(25-26-18)12-7-3-1-4-8-12/h1-10H,11H2,(H,23,25,26)(H3,19,20,21,22,24)
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| InChIKey |
DUTRQVGJYKEYQS-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