General Information of the Compound
| Compound ID |
CP0373896
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| Compound Name |
2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexylbutanophenone
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| Structure |
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| Formula |
C20H30ClNO
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| Molecular Weight |
335.919
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| Canonical SMILES |
CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3
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| InChIKey |
VEOJUGKGLUEXTM-UHFFFAOYSA-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