| PDB CCD ID: | U7H |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C27 H29 N5 O2 |
| InChI: | InChI=1S/C27H29N5O2/c1-20-24(21-7-4-3-5-8-21)18-32(29-20)19-27(2,34)26(33)31-15-13-30(14-16-31)25-10-6-9-22-17-28-12-11-23(22)25/h3-12,17-18,34H,13-16,19H2,1-2H3/t27-/m0/s1 |
| InChIKey: | NIAOQHXCKBVCFC-MHZLTWQESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1nn(C[C@](C)(O)C(=O)N2CCN(CC2)c3cccc4cnccc34)cc1c5ccccc5 | | CACTVS 3.385 | Cc1nn(C[C](C)(O)C(=O)N2CCN(CC2)c3cccc4cnccc34)cc1c5ccccc5 | | OpenEye OEToolkits 2.0.7 | Cc1c(cn(n1)C[C@@](C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5 | | OpenEye OEToolkits 2.0.7 | Cc1c(cn(n1)CC(C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5 |
|
| Name: | 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1H-pyrazol-1-yl)propan-1-one;
(2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-pyrazol-1-yl)-2-oxidanyl-propan-1-one |
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