General Information of the Compound
| Compound ID |
CP0304658
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| Compound Name |
3-[(4-methylphenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C16H15N3S
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| Molecular Weight |
281.384
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| Canonical SMILES |
Cc1ccc(CSc2ncn(n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C16H15N3S/c1-13-7-9-14(10-8-13)11-20-16-17-12-19(18-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
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| InChIKey |
JAVBFNWBMPZICK-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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