| PDB CCD ID: | 9K6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H19 N3 O2 S |
| InChI: | InChI=1S/C15H19N3O2S/c1-12-10-16-7-3-9-18(12)21(19,20)15-5-2-4-13-11-17-8-6-14(13)15/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3/t12-/m0/s1 |
| InChIKey: | DSOQHHGSXZTTAQ-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3 | | CACTVS 3.385 | C[CH]1CNCCCN1[S](=O)(=O)c2cccc3cnccc23 | | CACTVS 3.385 | C[C@H]1CNCCCN1[S](=O)(=O)c2cccc3cnccc23 | | OpenEye OEToolkits 2.0.6 | CC1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3 |
|
| Name: | 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;
1-(5-Isoquinolinylsulfonyl)-7-methylhomopiperazin |
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