PDB CCD ID: | 9P2 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C36 H35 N3 O4 |
InChI: | InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3 |
InChIKey: | ITACCRHKSPSKKL-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | CCCCn1c(c(nc1c2ccccc2)c3ccccc3)CN(Cc4ccc5c(c4)OCO5)Cc6ccc7c(c6)OCO7 | CACTVS 3.385 | CCCCn1c(CN(Cc2ccc3OCOc3c2)Cc4ccc5OCOc5c4)c(nc1c6ccccc6)c7ccccc7 |
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Name: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine |
ChEMBL: | CHEMBL4303272 |
ZINC: | ZINC000043202267 |