4YR
Summary
| Name: | N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]-2-fluorobenzamide |
| Formula: | C24 H25 F N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 436.479 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-~{N}-[(3~{R})-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-fluoranyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H25FN4O3/c25-20-8-7-16(13-29-21-4-2-1-3-18(21)22(30)27-24(29)32)11-19(20)23(31)26-17-9-10-28(14-17)12-15-5-6-15/h1-4,7-8,11,15,17H,5-6,9-10,12-14H2,(H,26,31)(H,27,30,32)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | ZKLQWWOVTJLLRS-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CN2C(=O)NC(=O)c3ccccc23)cc1C(=O)N[C@@H]4CCN(CC5CC5)C4 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CN2C(=O)NC(=O)c3ccccc23)cc1C(=O)N[CH]4CCN(CC5CC5)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N[C@@H]4CCN(C4)CC5CC5)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)NC4CCN(C4)CC5CC5)F |
