14-oxo-3,13,21-triazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8,15,17,19-heptaene-21-carbaldehyde

AlkaPlorer ID: AK009378

Synonym: None

IUPAC Name: (1S)-14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaene-21-carbaldehyde

Structure

SMILES: O=CN1C2=CC=CC=C2C(=O)N2CCC3=C(NC4=CC=CC=C34)[C@H]21

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InChI: InChI=1S/C19H15N3O2/c23-11-22-16-8-4-2-6-14(16)19(24)21-10-9-13-12-5-1-3-7-15(12)20-17(13)18(21)22/h1-8,11,18,20H,9-10H2/t18-/m1/s1

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InChIKey: JUVKOVVIBPSXTO-GOSISDBHSA-N

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Properties Information

Molecule Weight: 317.348

TPSA: 56.41

MolLogP: 2.841400000000001

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information