Melodinine H

AlkaPlorer ID: AK305463

Synonym: None

IUPAC Name: methyl 4-(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaen-17-yl)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2(7),3,5,13-tetraene-10-carboxylate

Structure

SMILES: CCC12C=CCN3CCC4=C(C31)N(C1=CC=CC=C41)C(C1=CC=C3NC45C(C(=O)OC)CC6(C=CCN7CCC4(C3=C1)C76)C5C)C2

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InChI: InChI=1S/C40H44N4O2/c1-4-37-14-7-17-42-19-13-27-26-9-5-6-10-31(26)44(33(27)34(37)42)32(23-37)25-11-12-30-28(21-25)39-16-20-43-18-8-15-38(36(39)43)22-29(35(45)46-3)40(39,41-30)24(38)2/h5-12,14-15,21,24,29,32,34,36,41H,4,13,16-20,22-23H2,1-3H3

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InChIKey: NTCLEOOXPJPREQ-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 612.8180000000002

TPSA: 49.74

MolLogP: 6.375000000000006

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information