A1D8L
Summary
| Name: | Mavorixafor |
| Synonyms: | AMD-070 |
| Formula: | C21 H27 N5 |
| Formal charge: | 0 |
| Formula weight: | 349.473 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}'-(1~{H}-benzimidazol-2-ylmethyl)-~{N}'-[(8~{S})-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | WVLHHLRVNDMIAR-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCN(Cc1[nH]c2ccccc2n1)[C@H]3CCCc4cccnc34 |
| SMILES | CACTVS | 3.385 | NCCCCN(Cc1[nH]c2ccccc2n1)[CH]3CCCc4cccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CN(CCCCN)[C@H]3CCCc4c3nccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CN(CCCCN)C3CCCc4c3nccc4 |
