Lymphostin; N6-Deacetyl, N6-propanoyl 

AlkaPlorer ID: AK030440

Synonym: Neolymphostin B

IUPAC Name: N-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),9-pentaen-9-yl]propanamide

Structure

SMILES: CCC(=O)NC1=CC(N)=C2N=CC3=CC(C(=O)C=COC)=NC1=C32

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InChI: InChI=1S/C17H16N4O3/c1-3-14(23)20-12-7-10(18)16-15-9(8-19-16)6-11(21-17(12)15)13(22)4-5-24-2/h4-8H,3,18H2,1-2H3,(H,20,23)

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InChIKey: OGZSTTCVCWTRRH-UHFFFAOYSA-N

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Reference

COCONUT: CNP0202925

Properties Information

Molecule Weight: 324.3400000000001

TPSA: 106.67000000000002

MolLogP: 2.5723000000000003

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information