| PDB CCD ID: | 8XR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H29 N3 O2 |
| InChI: | InChI=1S/C24H29N3O2/c1-15-9-11-20(16(2)13-15)25-23(28)18-10-12-21-22(14-18)27(19-7-5-6-8-19)17(3)24(29)26(21)4/h9-14,17,19H,5-8H2,1-4H3,(H,25,28)/t17-/m1/s1 |
| InChIKey: | DOTVVPFDFURPQD-QGZVFWFLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@H]1N(C2CCCC2)c3cc(ccc3N(C)C1=O)C(=O)Nc4ccc(C)cc4C | | CACTVS 3.385 | C[CH]1N(C2CCCC2)c3cc(ccc3N(C)C1=O)C(=O)Nc4ccc(C)cc4C | | OpenEye OEToolkits 2.0.6 | Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CCCC4 | | OpenEye OEToolkits 2.0.6 | Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CCCC4 |
|
| Name: | (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide |
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