PDB CCD ID: | E2J |
Number of entries in BioLiP: | 1 |
Chemical formula: | C27 H25 F2 N3 O S |
InChI: | InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 |
InChIKey: | JUQLTPCYUFPYKE-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | C5=4N(C(C(CCN1CCC(\CC1)=C(/c2ccc(cc2)F)c3ccc(F)cc3)=C(N=4)C)=O)C=CS5 | CACTVS 3.385 | CC1=C(CCN2CCC(CC2)=C(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5C=CSC5=N1 | OpenEye OEToolkits 2.0.6 | CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3 |
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Name: | 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one; Ritanserin |
ChEMBL: | CHEMBL267777 |
DrugBank: | DB12693 |
ZINC: | ZINC000000538314 |