General Information of the Compound
| Compound ID |
CP0543372
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| Compound Name |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
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| Structure |
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| Formula |
C14H12N8OS
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| Molecular Weight |
340.372
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| Canonical SMILES |
O=C(Nc1sc2CCCCc2c1C#N)c1n[nH]c(n1)-n1cnnc1
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| InChI |
InChI=1S/C14H12N8OS/c15-5-9-8-3-1-2-4-10(8)24-13(9)19-12(23)11-18-14(21-20-11)22-6-16-17-7-22/h6-7H,1-4H2,(H,19,23)(H,18,20,21)
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| InChIKey |
KXUXBBQQIKZNON-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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