6Q1
Summary
| Name: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one |
| Synonyms: | UNC2434 |
| Formula: | C26 H35 N7 O |
| Formal charge: | 0 |
| Formula weight: | 461.602 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]tetraazacyclotetradecin-8(3H)-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1CN2CCN(C)CC2)c3cn4c5c3cnc(NCCCCC(NCCC4)=O)n5 |
| InChI | InChI | 1.03 | InChI=1S/C26H35N7O/c1-31-13-15-32(16-14-31)18-20-6-8-21(9-7-20)23-19-33-12-4-11-27-24(34)5-2-3-10-28-26-29-17-22(23)25(33)30-26/h6-9,17,19H,2-5,10-16,18H2,1H3,(H,27,34)(H,28,29,30) |
| InChIKey | InChI | 1.03 | RYOJEPUQWYYQQK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(cc2)c3cn4CCCNC(=O)CCCCNc5ncc3c4n5 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(cc2)c3cn4CCCNC(=O)CCCCNc5ncc3c4n5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4 |
