General Information of the Compound
| Compound ID |
CP0903356
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| Compound Name |
5-(2-benzylpiperazin-1-yl)-7-methoxy-1H-indole
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| Structure |
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| Formula |
C20H23N3O
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| Molecular Weight |
321.424
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| Canonical SMILES |
COc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12
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| InChI |
InChI=1S/C20H23N3O/c1-24-19-13-17(12-16-7-8-22-20(16)19)23-10-9-21-14-18(23)11-15-5-3-2-4-6-15/h2-8,12-13,18,21-22H,9-11,14H2,1H3
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| InChIKey |
VBDVAWKLCDBKGM-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