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- ChemComp-RM8: 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole -

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Basic information

EntryDatabase: PDB chemical components / ID: RM8
NameName: 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole

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Chemical information

Composition
Formula: C19H22N4 / Number of atoms: 45 / Formula weight: 306.405 / Formal charge: 0
Others

3rm8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RM8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3RM8
History
Create componentJul 20, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01n1ccccc1N4CCN(Cc2c(nc3ccccc23)C)CC4
CACTVS 3.370Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4
OpenEye OEToolkits 1.7.2Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4

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SMILES CANONICAL

CACTVS 3.370Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4
OpenEye OEToolkits 1.7.2Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4

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InChI

InChI 1.03InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3

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InChIKey

InChI 1.03ZAXKSLQZANTESC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
OpenEye OEToolkits 1.7.22-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole

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PDB entries

Showing all 1 items

PDB-3rm8:
AMCase in complex with Compound 2

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