| PDB CCD ID: | RRU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C26 H23 Cl N4 O3 S |
| InChI: | InChI=1S/C26H23ClN4O3S/c27-20-6-5-19-14-30(35(33,34)17-25(15-28)7-8-25)16-26(22(19)11-20)9-10-31(24(26)32)23-13-29-12-18-3-1-2-4-21(18)23/h1-6,11-13H,7-10,14,16-17H2/t26-/m1/s1 |
| InChIKey: | ZFIJDHJQBMZSSD-AREMUKBSSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Clc1ccc2CN(C[C@]3(CCN(C3=O)c4cncc5ccccc45)c2c1)[S](=O)(=O)CC6(CC6)C#N | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | | CACTVS 3.385 | Clc1ccc2CN(C[C]3(CCN(C3=O)c4cncc5ccccc45)c2c1)[S](=O)(=O)CC6(CC6)C#N | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | | ACDLabs 12.01 | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1 |
|
| Name: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
