General Information of the Compound
| Compound ID |
CP0575213
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| Compound Name |
4-(2,4-dichlorophenyl)-3-methylsulfanyl-5-propyl-1,2,4-triazole
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| Structure |
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| Formula |
C12H13Cl2N3S
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| Molecular Weight |
302.23
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| Canonical SMILES |
CCCc1nnc(SC)n1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C12H13Cl2N3S/c1-3-4-11-15-16-12(18-2)17(11)10-6-5-8(13)7-9(10)14/h5-7H,3-4H2,1-2H3
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| InChIKey |
ZTIYCBDSNPPTFM-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