General Information of the Compound
| Compound ID |
CP0022625
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| Compound Name |
1-(4-Amino-furazan-3-yl)-5-piperidin-1-ylmethyl-1H-[1,2,3]triazole-4-carboxylic acid pyridin-4-ylmethylene-hydrazide
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| Structure |
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| Formula |
C17H20N10O2
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| Molecular Weight |
396.415
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| Canonical SMILES |
Nc1nonc1-n1nnc(C(=O)N\N=C\c2ccncc2)c1CN1CCCCC1
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| InChI |
InChI=1S/C17H20N10O2/c18-15-16(24-29-23-15)27-13(11-26-8-2-1-3-9-26)14(21-25-27)17(28)22-20-10-12-4-6-19-7-5-12/h4-7,10H,1-3,8-9,11H2,(H2,18,23)(H,22,28)/b20-10+
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| InChIKey |
NPRZEIPPEOHGJW-KEBDBYFISA-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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