General Information of the Compound
| Compound ID |
CP0372677
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| Compound Name |
(5-Methylsulfanyl-[1,2,3]thiadiazol-4-yl)-[2-(2,4,6-trichloro-phenylamino)-4-trifluoromethyl-thiazol-5-ylmethyl]-amine
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| Structure |
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| Formula |
C14H9Cl3F3N5S3
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| Molecular Weight |
506.815
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| Canonical SMILES |
CSc1snnc1NCc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
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| InChI |
InChI=1S/C14H9Cl3F3N5S3/c1-26-12-11(24-25-28-12)21-4-8-10(14(18,19)20)23-13(27-8)22-9-6(16)2-5(15)3-7(9)17/h2-3,21H,4H2,1H3,(H,22,23)
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| InChIKey |
WHTOMRLGNLBYIB-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