General Information of the Compound
| Compound ID |
CP0535517
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| Compound Name |
N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride
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| Structure |
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| Formula |
C21H33ClF2N2O4
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| Molecular Weight |
450.954
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| Canonical SMILES |
Cl.C[C@@H]1N[C@H](CO[C@H]1OCC(C)(C)C)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
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| InChI |
InChI=1S/C21H32F2N2O4.ClH/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14;/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26);1H/t12-,17-,18+,19-,20-;/m0./s1
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| InChIKey |
PJQGOUVTIKZTOU-QUQQOIKDSA-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