General Information of the Compound
| Compound ID |
CP0011696
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| Compound Name |
N-(2-aminophenyl)-4-[1-(2-thiophen-3-ylethyl)triazol-4-yl]benzamide
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| Structure |
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| Formula |
C21H19N5OS
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| Molecular Weight |
389.484
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(cc1)-c1cn(CCc2ccsc2)nn1
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| InChI |
InChI=1S/C21H19N5OS/c22-18-3-1-2-4-19(18)23-21(27)17-7-5-16(6-8-17)20-13-26(25-24-20)11-9-15-10-12-28-14-15/h1-8,10,12-14H,9,11,22H2,(H,23,27)
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| InChIKey |
LBLSLSOENGWIHL-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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