| PDB CCD ID: | FVR |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C26 H29 N5 O2 |
| InChI: | InChI=1S/C26H29N5O2/c1-30-15-20(19-8-10-22(11-9-19)33-17-18-6-4-3-5-7-18)14-21(16-30)28-26-29-23-12-13-27-24(23)25(32)31(26)2/h3-13,20-21,27H,14-17H2,1-2H3,(H,28,29)/t20-,21+/m0/s1 |
| InChIKey: | GUFVCUSKHSXTFY-LEWJYISDSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C[C@@H](C[C@@H](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4C | | CACTVS 3.385 | CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4C | | OpenEye OEToolkits 2.0.7 | CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5 | | OpenEye OEToolkits 2.0.7 | CN1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5 |
|
| Name: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one |
| ChEMBL: | CHEMBL4449143 |
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