| PDB CCD ID: | NQV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C30 H42 N6 O3 |
| InChI: | InChI=1S/C30H42N6O3/c1-19(2)39-26-18-21(29(37)31-22-14-16-34(4)17-15-22)10-11-24(26)32-27-13-12-25-28(33-27)36(23-8-6-7-9-23)20(3)30(38)35(25)5/h10-13,18-20,22-23H,6-9,14-17H2,1-5H3,(H,31,37)(H,32,33)/t20-/m1/s1 |
| InChIKey: | AGCMTUNUCHFYSQ-HXUWFJFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5 | | OpenEye OEToolkits 2.0.7 | C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C | | OpenEye OEToolkits 2.0.7 | CC1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C | | CACTVS 3.385 | CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[CH](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5 | | ACDLabs 12.01 | c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC(C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O |
|
| Name: | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide |
| ChEMBL: | CHEMBL4539891 |
