7TX
Summary
| Name: | 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide |
| Formula: | C25 H29 F N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 452.521 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-~{N}-[(3~{R})-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H29FN4O3/c1-16(2)9-11-29-12-10-18(15-29)27-24(32)20-13-17(7-8-21(20)26)14-30-22-6-4-3-5-19(22)23(31)28-25(30)33/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,27,32)(H,28,31,33)/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | CHTZEODVNXPKCZ-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCN1CC[C@H](C1)NC(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F |
| SMILES | CACTVS | 3.385 | CC(C)CCN1CC[CH](C1)NC(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)CCN1CC[C@H](C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CCN1CCC(C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O |
