General Information of the Compound
| Compound ID |
CP0059793
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| Compound Name |
3-(4-Chloro-phenyl)--8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid (3-{[3-(4-chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carbonyl]-amino}-propyl)-amide
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| Structure |
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| Formula |
C33H42Cl2N4O2
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| Molecular Weight |
597.631
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| Canonical SMILES |
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
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| InChI |
InChI=1S/C33H42Cl2N4O2/c1-38-24-12-14-28(38)30(26(18-24)20-4-8-22(34)9-5-20)32(40)36-16-3-17-37-33(41)31-27(21-6-10-23(35)11-7-21)19-25-13-15-29(31)39(25)2/h4-11,24-31H,3,12-19H2,1-2H3,(H,36,40)(H,37,41)
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| InChIKey |
ZQNWAFLIAPMFBG-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