Netropsin; 4-N-Deacyl, 4-N-formyl 

AlkaPlorer ID: AK307681

Synonym: Disgocidine

IUPAC Name: N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide

Structure

SMILES: CN1C=C(NC(=O)C2=CC(NC=O)=CN2C)C=C1C(=O)NCCC(=N)N

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InChI: InChI=1S/C16H21N7O3/c1-22-7-10(20-9-24)5-13(22)16(26)21-11-6-12(23(2)8-11)15(25)19-4-3-14(17)18/h5-9H,3-4H2,1-2H3,(H3,17,18)(H,19,25)(H,20,24)(H,21,26)

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InChIKey: RLINKTRQUWUNPA-UHFFFAOYSA-N

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Reference

PubChem CID: 151354

CAS: 56752-53-5

Source

Properties Information

Molecule Weight: 359.39000000000016

TPSA: 147.03

MolLogP: 0.2400700000000008

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information