5PF
Summary
| Name: | (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol |
| Formula: | C18 H21 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 300.371 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2/t15-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | AKOIXTSNUPHRQM-DOTOQJQBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](C[C@@H]1n2cncc2c3cccc(F)c13)C4CCCCC4 |
| SMILES | CACTVS | 3.385 | O[CH](C[CH]1n2cncc2c3cccc(F)c13)C4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCCCC4)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc-2c(c(c1)F)C(n3c2cnc3)CC(C4CCCCC4)O |
