General Information of the Compound
| Compound ID |
CP0844802
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| Compound Name |
5-(2-benzylpiperazin-1-yl)-1-methyl-1H-indole
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| Structure |
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| Formula |
C20H23N3
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| Molecular Weight |
305.425
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| Canonical SMILES |
Cn1ccc2cc(N3CCNCC3Cc3ccccc3)ccc21
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| InChI |
InChI=1S/C20H23N3/c1-22-11-9-17-14-18(7-8-20(17)22)23-12-10-21-15-19(23)13-16-5-3-2-4-6-16/h2-9,11,14,19,21H,10,12-13,15H2,1H3
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| InChIKey |
UKQYNWZANZHZLT-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