Molecule

(4a'S,8a'R)-4'-(3-chlorobenzoyl)-2'-(2-furyl)-4a',5',6',7',8',8a'-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]

AlkaPlorer ID: AK437477

Synonym: None

IUPAC Name: [(4aS,8aR)-2-(furan-2-yl)spiro[4a,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline-9,1'-cyclohexane]-4-yl]-(3-chlorophenyl)methanone

Structure

SMILES: O=C(C1=CC(Cl)=CC=C1)N1C2=NC(C3=CC=CO3)=NN2C2(CCCCC2)[C@@H]2CCCC[C@@H]21

InChI: InChI=1S/C25H27ClN4O2/c26-18-9-6-8-17(16-18)23(31)29-20-11-3-2-10-19(20)25(13-4-1-5-14-25)30-24(29)27-22(28-30)21-12-7-15-32-21/h6-9,12,15-16,19-20H,1-5,10-11,13-14H2/t19-,20+/m1/s1

InChIKey: KSLWMQSOZSYQHN-UXHICEINSA-N

Reference

Constituents from the Stem Wood of <i>Euphorbia </i><i>quinquecostata </i>with Phorbol Dibutyrate Receptor-Binding Inhibitory Activity

PubChem CID: 16015083

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 450.9700000000005

TPSA？: 64.16

MolLogP？: 6.0701000000000045

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	20596.2	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	23109.3	nM	None