General Information of the Compound
| Compound ID |
CP0390063
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| Compound Name |
N-[(1S,2S)-1-[(3R,5S,6R)-6-(cyclohexylmethoxy)-5-methylmorpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide;hydrochloride
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| Structure |
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| Formula |
C23H35ClF2N2O4
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| Molecular Weight |
476.992
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| Canonical SMILES |
Cl.C[C@@H]1N[C@H](CO[C@H]1OCC1CCCCC1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
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| InChI |
InChI=1S/C23H34F2N2O4.ClH/c1-14-23(30-12-16-6-4-3-5-7-16)31-13-21(26-14)22(29)20(27-15(2)28)10-17-8-18(24)11-19(25)9-17;/h8-9,11,14,16,20-23,26,29H,3-7,10,12-13H2,1-2H3,(H,27,28);1H/t14-,20-,21+,22-,23+;/m0./s1
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| InChIKey |
AIVAMFNNYVSLIS-OYRYOUQPSA-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