| PDB CCD ID: | JI7 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C20 H28 Cl N5 |
| InChI: | InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1 |
| InChIKey: | VWCMAGONQJHIJZ-LPHOPBHVSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | Clc1cccc(c1)CNCCNC2C(CNC2)Cc3nc(N)cc(c3)C | | CACTVS 3.341 | Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCc3cccc(Cl)c3)c1 | | CACTVS 3.341 | Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc3cccc(Cl)c3)c1 | | OpenEye OEToolkits 1.5.0 | Cc1cc(nc(c1)N)CC2CNCC2NCCNCc3cccc(c3)Cl | | OpenEye OEToolkits 1.5.0 | Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl |
|
| Name: | N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine;
(+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine |
| ChEMBL: | CHEMBL526688 |
| DrugBank: | DB08019 |
| ZINC: | ZINC000039036704 |
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