6U2
Summary
| Name: | 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide |
| Formula: | C26 H30 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 490.62 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33) |
| InChIKey | InChI | 1.03 | KWQRIWDMNAKJAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CCCOc2cccc(CC(=O)Nc3scc(n3)c4c[nH]c5ncccc45)c2)CC1 |
| SMILES | CACTVS | 3.385 | CN1CCN(CCCOc2cccc(CC(=O)Nc3scc(n3)c4c[nH]c5ncccc45)c2)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5 |
