General Information of the Compound
| Compound ID |
CP0081735
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| Compound Name |
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide
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| Structure |
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| Formula |
C20H31N3O2
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| Molecular Weight |
345.487
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| Canonical SMILES |
C[C@H]1CN(CCCNC(=O)CN2CCc3ccccc3C2)C[C@@H](C)O1
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| InChI |
InChI=1S/C20H31N3O2/c1-16-12-22(13-17(2)25-16)10-5-9-21-20(24)15-23-11-8-18-6-3-4-7-19(18)14-23/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H,21,24)/t16-,17+
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| InChIKey |
MQFCUOQOVNYIGJ-CALCHBBNSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound