General Information of the Compound
| Compound ID |
CP0066248
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| Compound Name |
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C17H14N6O4S
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| Molecular Weight |
398.404
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| Canonical SMILES |
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
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| InChI |
InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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| InChIKey |
XMUMBKFOUOBSOO-VXLYETTFSA-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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