General Information of the Compound
| Compound ID |
CP0848012
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| Compound Name |
3-(5-Chloro-6-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(pyrrolidin-1-yl)propan-1-amine
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| Structure |
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| Formula |
C20H27ClN2O
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| Molecular Weight |
346.902
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| Canonical SMILES |
COc1ccc2cc(C(CCN(C)C)N3CCCC3)ccc2c1Cl
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| InChI |
InChI=1S/C20H27ClN2O/c1-22(2)13-10-18(23-11-4-5-12-23)16-6-8-17-15(14-16)7-9-19(24-3)20(17)21/h6-9,14,18H,4-5,10-13H2,1-3H3
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| InChIKey |
NTSASDUHAQEZEA-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