Polycarpine; Monosulfide analogue
AlkaPlorer ID: AK085338
Synonym: Polycarpaurine A
IUPAC Name: 5-[2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-yl]sulfanyl-4-(4-methoxyphenyl)-1-methylimidazol-2-amine
Structure
SMILES: COC1=CC=C(C2=C(SC3=C(C4=CC=C(OC)C=C4)NC(=N)N3C)N(C)C(=N)N2)C=C1
InChI: InChI=1S/C22H24N6O2S/c1-27-19(17(25-21(27)23)13-5-9-15(29-3)10-6-13)31-20-18(26-22(24)28(20)2)14-7-11-16(30-4)12-8-14/h5-12H,1-4H3,(H2,23,25)(H2,24,26)
InChIKey: MFYQKLYRRCYHIK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polycarpa aurata | Polycarpa | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 436.54100000000005
TPSA？: 107.6
MolLogP？: 3.4811400000000017
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|