General Information of the Compound
| Compound ID |
CP0004090
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| Compound Name |
2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-5,6-dimethyl-1H-benzimidazole
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| Structure |
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| Formula |
C23H26ClN3
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| Molecular Weight |
379.935
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| Canonical SMILES |
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1nc2cc(C)c(C)cc2[nH]1
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| InChI |
InChI=1S/C23H26ClN3/c1-13-10-19-20(11-14(13)2)26-23(25-19)22-18(15-4-6-16(24)7-5-15)12-17-8-9-21(22)27(17)3/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3,(H,25,26)/t17-,18+,21+,22-/m0/s1
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| InChIKey |
ZONWPEAFLDQJPL-KKXYHZGYSA-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