General Information of the Compound
| Compound ID |
CP0406619
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| Compound Name |
5-[2-(3-Trifluoromethyl-phenylamino)-phenyl]-[1,3,4]thiadiazol-2-yl-cyanamide
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| Structure |
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| Formula |
C16H10F3N5S
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| Molecular Weight |
361.352
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(NC#N)s2)c1
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| InChI |
InChI=1S/C16H10F3N5S/c17-16(18,19)10-4-3-5-11(8-10)22-13-7-2-1-6-12(13)14-23-24-15(25-14)21-9-20/h1-8,22H,(H,21,24)
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| InChIKey |
VZQHTJARSRVOIR-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