General Information of the Compound
| Compound ID |
CP0493692
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| Compound Name |
(2S,6R)-4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]-2,6-dimethylmorpholine
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| Structure |
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| Formula |
C19H25Cl2N3O2
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| Molecular Weight |
398.334
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| Canonical SMILES |
C[C@H]1CN(CCCCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1
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| InChI |
InChI=1S/C19H25Cl2N3O2/c1-14-12-23(13-15(2)26-14)8-3-4-10-25-19-7-9-24(22-19)16-5-6-17(20)18(21)11-16/h5-7,9,11,14-15H,3-4,8,10,12-13H2,1-2H3/t14-,15+
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| InChIKey |
NWFCYGKUUJSQBC-GASCZTMLSA-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