General Information of the Compound
Compound ID |
CP0903357
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Compound Name |
5-(2-benzylpiperazin-1-yl)-1H-indole-3-carboxamide
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Structure |
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Formula |
C20H22N4O
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Molecular Weight |
334.423
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Canonical SMILES |
NC(=O)c1c[nH]c2ccc(N3CCNCC3Cc3ccccc3)cc12
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InChI |
InChI=1S/C20H22N4O/c21-20(25)18-13-23-19-7-6-15(11-17(18)19)24-9-8-22-12-16(24)10-14-4-2-1-3-5-14/h1-7,11,13,16,22-23H,8-10,12H2,(H2,21,25)
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InChIKey |
QSIIURGKHNVJBN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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