General Information of the Compound
| Compound ID |
CP0024852
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| Compound Name |
1-(4-Amino-furazan-3-yl)-5-piperidin-1-ylmethyl-1H-[1,2,3]triazole-4-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
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| Structure |
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| Formula |
C18H23N9O2
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| Molecular Weight |
397.443
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| Canonical SMILES |
Nc1nonc1-n1nnc(C(=O)NCCc2ccncc2)c1CN1CCCCC1
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| InChI |
InChI=1S/C18H23N9O2/c19-16-17(24-29-23-16)27-14(12-26-10-2-1-3-11-26)15(22-25-27)18(28)21-9-6-13-4-7-20-8-5-13/h4-5,7-8H,1-3,6,9-12H2,(H2,19,23)(H,21,28)
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| InChIKey |
DRLORKBIDYIINM-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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