6V3
Summary
| Name: | 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea |
| Formula: | C29 H28 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 492.572 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-[5-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-[4-(1~{H}-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C29H28N6O2/c1-34-15-17-35(18-16-34)26-4-2-3-20-19-22(7-10-24(20)26)33-29(36)32-21-5-8-23(9-6-21)37-27-12-14-31-28-25(27)11-13-30-28/h2-14,19H,15-18H2,1H3,(H,30,31)(H2,32,33,36) |
| InChIKey | InChI | 1.03 | WQRGBJPKMNUGRL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2cccc3cc(NC(=O)Nc4ccc(Oc5ccnc6[nH]ccc56)cc4)ccc23 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2cccc3cc(NC(=O)Nc4ccc(Oc5ccnc6[nH]ccc56)cc4)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6 |
