General Information of the Compound
| Compound ID |
CP0538331
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| Compound Name |
N-methyl-N-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline
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| Structure |
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| Formula |
C19H22N4S
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| Molecular Weight |
338.48
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| Canonical SMILES |
CC(C)Sc1nnc(CN(C)c2ccccc2)n1-c1ccccc1
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| InChI |
InChI=1S/C19H22N4S/c1-15(2)24-19-21-20-18(23(19)17-12-8-5-9-13-17)14-22(3)16-10-6-4-7-11-16/h4-13,15H,14H2,1-3H3
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| InChIKey |
RWWWMBYBGUBDKD-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