General Information of the Compound
| Compound ID |
CP0527878
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| Compound Name |
5-(4-chloro-2-methoxyphenyl)-1-methyl-N,N-dipropyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C16H23ClN4O
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| Molecular Weight |
322.84
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| Canonical SMILES |
CCCN(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
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| InChI |
InChI=1S/C16H23ClN4O/c1-5-9-21(10-6-2)16-18-15(20(3)19-16)13-8-7-12(17)11-14(13)22-4/h7-8,11H,5-6,9-10H2,1-4H3
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| InChIKey |
HISQHLVXTSTURT-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