General Information of the Compound
| Compound ID |
CP0899719
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| Compound Name |
5-(2-benzylpiperazin-1-yl)-1H-indole
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| Structure |
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| Formula |
C19H21N3
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| Molecular Weight |
291.398
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| Canonical SMILES |
c1ccc(CC2CNCCN2c2ccc3[nH]ccc3c2)cc1
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| InChI |
InChI=1S/C19H21N3/c1-2-4-15(5-3-1)12-18-14-20-10-11-22(18)17-6-7-19-16(13-17)8-9-21-19/h1-9,13,18,20-21H,10-12,14H2
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| InChIKey |
KOPIUBJLSUXFHC-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