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G4Q : Summary
Code
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G4Q
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One-letter code
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X
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Molecule name
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~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide
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Systematic names
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Formula
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C34 H33 N5 O2
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Formal charge
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0
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Molecular weight
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543.658 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 |
Canonical SMILES
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CACTVS |
3.385 |
CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6 |
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IUPAC InChI | InChI=1S/C34H33N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h3-17,22H,2,18-21,23H2,1H3,(H,35,41)(H,36,40) |
IUPAC InChI key | QCTYKYAJKIOMDJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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74 (41 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2018-08-28
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Last modified at
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2024-09-27
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Status
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Released
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Obsoleted
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Not Assigned
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