General Information of the Compound
| Compound ID |
CP0015861
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| Compound Name |
4-[5-Piperidin-1-ylmethyl-4-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-yl)-[1,2,3]triazol-1-yl]-furazan-3-ylamine
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| Structure |
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| Formula |
C17H19N11O
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| Molecular Weight |
393.415
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| Canonical SMILES |
Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1
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| InChI |
InChI=1S/C17H19N11O/c18-14-17(25-29-24-14)28-12(10-27-8-2-1-3-9-27)13(21-26-28)16-20-15(22-23-16)11-4-6-19-7-5-11/h4-7H,1-3,8-10H2,(H2,18,24)(H,20,22,23)
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| InChIKey |
YIBIAWNWSWZFSR-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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