General Information of the Compound
| Compound ID |
CP0001465
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| Compound Name |
(2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-morpholin-2-ol
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| Structure |
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| Formula |
C15H22ClNO2
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| Molecular Weight |
283.799
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| Canonical SMILES |
CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
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| InChIKey |
ZWMHSADWUIOURG-ZFWWWQNUSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter