6,7-dimethoxy-13-(propan-2-yl)-1,9,12-triazatetracyclo[6.5.2.0?,¹?.0¹¹,¹?]pentadeca-2,4(15),5,7,9,11(14),12-heptaen-10-ol
AlkaPlorer ID: AK122870
Synonym: None
IUPAC Name: 6,7-dimethoxy-13-propan-2-yl-1,9,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),11(14),12-hexaen-10-one
Structure
SMILES: COC1=CC2=C3C(=C1OC)N=C(O)C1=C3N(C=C2)C(C(C)C)=N1
InChI: InChI=1S/C17H17N3O3/c1-8(2)16-18-13-14-11-9(5-6-20(14)16)7-10(22-3)15(23-4)12(11)19-17(13)21/h5-8H,1-4H3,(H,19,21)
InChIKey: UCZQFDCSVUSIPQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 311.34100000000007
TPSA？: 68.88
MolLogP？: 3.319700000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | HT-29 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | K562 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | KB | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | MCF7 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| None | NON-PROTEIN TARGET | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |