General Information of the Compound
| Compound ID |
CP0732169
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| Compound Name |
Methyl 2-((3-(2-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propyl)thio)acetate
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| Structure |
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| Formula |
C18H29NO4S
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| Molecular Weight |
355.5
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| Canonical SMILES |
COC(=O)CSCCCc1ccccc1OCC(O)CNC(C)C
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| InChI |
InChI=1S/C18H29NO4S/c1-14(2)19-11-16(20)12-23-17-9-5-4-7-15(17)8-6-10-24-13-18(21)22-3/h4-5,7,9,14,16,19-20H,6,8,10-13H2,1-3H3
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| InChIKey |
UHPANSXIOGWEQL-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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