General Information of the Compound
| Compound ID |
CP0446550
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| Compound Name |
N-butan-2-yl-5-(4-chloro-2-methoxyphenyl)-1-methyl-N-propyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C17H25ClN4O
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| Molecular Weight |
336.867
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| Canonical SMILES |
CCCN(C(C)CC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
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| InChI |
InChI=1S/C17H25ClN4O/c1-6-10-22(12(3)7-2)17-19-16(21(4)20-17)14-9-8-13(18)11-15(14)23-5/h8-9,11-12H,6-7,10H2,1-5H3
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| InChIKey |
ZYUATXVKZMNUNB-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