General Information of the Compound
| Compound ID |
CP0844804
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| Compound Name |
5-(2-benzylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C18H20N4
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| Molecular Weight |
292.386
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| Canonical SMILES |
c1ccc(CC2CNCCN2c2cnc3[nH]ccc3c2)cc1
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| InChI |
InChI=1S/C18H20N4/c1-2-4-14(5-3-1)10-16-12-19-8-9-22(16)17-11-15-6-7-20-18(15)21-13-17/h1-7,11,13,16,19H,8-10,12H2,(H,20,21)
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| InChIKey |
YXKXFXIRENCHSD-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