Prothracarcin; (S)-form 

AlkaPlorer ID: AK311295

Synonym: None

IUPAC Name: 8-ethylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

Structure

SMILES: CC=C1CC2C=NC3=CC=CC=C3C(=O)N2C1

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InChI: InChI=1S/C14H14N2O/c1-2-10-7-11-8-15-13-6-4-3-5-12(13)14(17)16(11)9-10/h2-6,8,11H,7,9H2,1H3

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InChIKey: GYUDGZRJHSDPLH-UHFFFAOYSA-N

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Reference

PubChem CID: 133715

CAS: 81542-99-6

COCONUT: CNP0276274.2

Source

Properties Information

Molecule Weight: 226.279

TPSA: 32.67

MolLogP: 2.563300000000001

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information