General Information of the Compound
| Compound ID |
CP0008165
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| Compound Name |
N'-(2-aminophenyl)-N-[3-(1-phenyltriazol-4-yl)phenyl]octanediamide
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| Structure |
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| Formula |
C28H30N6O2
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| Molecular Weight |
482.588
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
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| InChI |
InChI=1S/C28H30N6O2/c29-24-15-8-9-16-25(24)31-28(36)18-7-2-1-6-17-27(35)30-22-12-10-11-21(19-22)26-20-34(33-32-26)23-13-4-3-5-14-23/h3-5,8-16,19-20H,1-2,6-7,17-18,29H2,(H,30,35)(H,31,36)
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| InChIKey |
XFBZAGGLERWKQC-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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