General Information of the Compound
| Compound ID |
CP0074207
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| Compound Name |
5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one
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| Structure |
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| Formula |
C18H20N6O
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| Molecular Weight |
336.399
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| Canonical SMILES |
O=c1cc(NC2CCCCC2)c(nn1-c1ccccc1)-c1nc[nH]n1
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| InChI |
InChI=1S/C18H20N6O/c25-16-11-15(21-13-7-3-1-4-8-13)17(18-19-12-20-22-18)23-24(16)14-9-5-2-6-10-14/h2,5-6,9-13,21H,1,3-4,7-8H2,(H,19,20,22)
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| InChIKey |
CRZJAUQQVQGZNE-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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