General Information of the Compound
| Compound ID |
CP0189368
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| Compound Name |
3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid (4-{[3-(4-chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carbonyl]-amino}-butyl)-amide
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| Structure |
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| Formula |
C34H44Cl2N4O2
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| Molecular Weight |
611.658
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| Canonical SMILES |
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
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| InChI |
InChI=1S/C34H44Cl2N4O2/c1-39-25-13-15-29(39)31(27(19-25)21-5-9-23(35)10-6-21)33(41)37-17-3-4-18-38-34(42)32-28(22-7-11-24(36)12-8-22)20-26-14-16-30(32)40(26)2/h5-12,25-32H,3-4,13-20H2,1-2H3,(H,37,41)(H,38,42)
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| InChIKey |
AHXRAUZDJFQCSL-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