General Information of the Compound
| Compound ID |
CP0181156
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| Compound Name |
3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid (8-{[3-(4-chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carbonyl]-amino}-octyl)-amide
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| Structure |
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| Formula |
C38H52Cl2N4O2
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| Molecular Weight |
667.766
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| Canonical SMILES |
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
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| InChI |
InChI=1S/C38H52Cl2N4O2/c1-43-29-17-19-33(43)35(31(23-29)25-9-13-27(39)14-10-25)37(45)41-21-7-5-3-4-6-8-22-42-38(46)36-32(26-11-15-28(40)16-12-26)24-30-18-20-34(36)44(30)2/h9-16,29-36H,3-8,17-24H2,1-2H3,(H,41,45)(H,42,46)
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| InChIKey |
HNCXDNKKOJCVCN-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