A1LXV
Summary
| Name: | A-1210477 |
| Synonyms: | 1668553-26-1 |
| Formula: | C46 H55 N7 O7 S |
| Formal charge: | 0 |
| Formula weight: | 850.037 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethyl-pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55) |
| InChIKey | InChI | 1.06 | XMVAWGSQPHFXKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)N1CCN(CC1)c2ccc(OCc3n(C)nc(C)c3c4cccc5c(CCCOc6cccc7ccccc67)c(n(CCN8CCOCC8)c45)C(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)N1CCN(CC1)c2ccc(OCc3n(C)nc(C)c3c4cccc5c(CCCOc6cccc7ccccc67)c(n(CCN8CCOCC8)c45)C(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n(n1)C)COc2ccc(cc2)N3CCN(CC3)S(=O)(=O)N(C)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)CCN8CCOCC8 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n(n1)C)COc2ccc(cc2)N3CCN(CC3)S(=O)(=O)N(C)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)CCN8CCOCC8 |
