General Information of the Compound
| Compound ID |
CP0279261
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| Compound Name |
3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid (6-{[3-(4-chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carbonyl]-amino}-hexyl)-amide
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| Structure |
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| Formula |
C36H48Cl2N4O2
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| Molecular Weight |
639.712
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| Canonical SMILES |
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
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| InChI |
InChI=1S/C36H48Cl2N4O2/c1-41-27-15-17-31(41)33(29(21-27)23-7-11-25(37)12-8-23)35(43)39-19-5-3-4-6-20-40-36(44)34-30(24-9-13-26(38)14-10-24)22-28-16-18-32(34)42(28)2/h7-14,27-34H,3-6,15-22H2,1-2H3,(H,39,43)(H,40,44)
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| InChIKey |
YDRFQAANTRDVRU-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