General Information of the Compound
| Compound ID |
CP0665630
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| Compound Name |
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-2-((3-(2-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propyl)thio)acetamide
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| Structure |
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| Formula |
C23H41N3O5S
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| Molecular Weight |
471.664
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| Canonical SMILES |
CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCN
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| InChI |
InChI=1S/C23H41N3O5S/c1-19(2)26-16-21(27)17-31-22-8-4-3-6-20(22)7-5-15-32-18-23(28)25-10-12-30-14-13-29-11-9-24/h3-4,6,8,19,21,26-27H,5,7,9-18,24H2,1-2H3,(H,25,28)
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| InChIKey |
KFWWDEAEUAATKO-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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