| PDB CCD ID: | A1EL5 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C25 H27 N5 O3 |
| InChI: | InChI=1S/C25H27N5O3/c1-29-19-6-3-7-20(33-2)21(19)25(32)30-12-10-16-15-9-8-14(13-18(15)28-22(16)24(29)30)27-23(31)17-5-4-11-26-17/h3,6-9,13,17,24,26,28H,4-5,10-12H2,1-2H3,(H,27,31)/t17-,24+/m1/s1 |
| InChIKey: | AQFIRGPZQUJRJS-OSPHWJPCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN1c2cccc(c2C(=O)N3C1c4c(c5ccc(cc5[nH]4)NC(=O)C6CCCN6)CC3)OC | | CACTVS 3.385 | COc1cccc2N(C)[C@H]3N(CCc4c3[nH]c5cc(NC(=O)[C@H]6CCCN6)ccc45)C(=O)c12 | | OpenEye OEToolkits 2.0.7 | CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5ccc(cc5[nH]4)NC(=O)[C@H]6CCCN6)CC3)OC | | CACTVS 3.385 | COc1cccc2N(C)[CH]3N(CCc4c3[nH]c5cc(NC(=O)[CH]6CCCN6)ccc45)C(=O)c12 |
|
| Name: | (R)-N-((S)-4-methoxy-14-methyl-5-oxo-5,7,8,13,13b,14-hexahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-11-yl)pyrrolidine-2-carboxamide |
