General Information of the Compound
| Compound ID |
CP0500003
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| Compound Name |
methyl (2E)-2-[3-(4-bromophenyl)-7-azatricyclo[5.3.0.04,8]decan-5-ylidene]acetate
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| Structure |
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| Formula |
C18H20BrNO2
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| Molecular Weight |
362.267
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| Canonical SMILES |
COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1
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| InChI |
InChI=1S/C18H20BrNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8-
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| InChIKey |
ZMKPUZMPYBNAFS-WQLSENKSSA-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