| PDB CCD ID: | 7S1 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C19 H17 N5 |
| InChI: | InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1 |
| InChIKey: | PQYCRDPLPKGSME-CQSZACIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(c1ccccc1)NC(=Nc2cccc3c2cccn3)NC#N | | CACTVS 3.385 | C[CH](NC(NC#N)=Nc1cccc2ncccc12)c3ccccc3 | | ACDLabs 12.01 | C(\NC#N)(NC(C)c1ccccc1)=N\c3c2cccnc2ccc3 | | OpenEye OEToolkits 2.0.6 | C[C@H](c1ccccc1)N/C(=N/c2cccc3c2cccn3)/NC#N | | CACTVS 3.385 | C[C@@H](NC(NC#N)=Nc1cccc2ncccc12)c3ccccc3 |
|
| Name: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine;
antagonist A804598 |
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