General Information of the Compound
| Compound ID |
CP0707834
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| Compound Name |
18-(2-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-2,13-dioxo-6,9-dioxa-15-thia-3,12-diazaoctadecane-1-sulfonic acid
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| Structure |
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| Formula |
C25H43N3O9S2
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| Molecular Weight |
593.765
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| Canonical SMILES |
CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CS(=O)(=O)O
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| InChI |
InChI=1S/C25H43N3O9S2/c1-20(2)28-16-22(29)17-37-23-8-4-3-6-21(23)7-5-15-38-18-24(30)26-9-11-35-13-14-36-12-10-27-25(31)19-39(32,33)34/h3-4,6,8,20,22,28-29H,5,7,9-19H2,1-2H3,(H,26,30)(H,27,31)(H,32,33,34)
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| InChIKey |
FSQGYGBQIPSEOT-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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