General Information of the Compound
| Compound ID |
CP0081835
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| Compound Name |
(2R)-1-(methylamino)-3-[5-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C23H27N3O2S
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| Molecular Weight |
409.555
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| Canonical SMILES |
CNC[C@@H](O)CN1CCc2c(C1)cccc2OCc1ccc(cc1)-c1nccs1
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| InChI |
InChI=1S/C23H27N3O2S/c1-24-13-20(27)15-26-11-9-21-19(14-26)3-2-4-22(21)28-16-17-5-7-18(8-6-17)23-25-10-12-29-23/h2-8,10,12,20,24,27H,9,11,13-16H2,1H3/t20-/m1/s1
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| InChIKey |
YOIPDYXMOWADRA-HXUWFJFHSA-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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Table of Molecular Bioactivities Related to the Compound