V59
Summary
| Name: | 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide |
| Formula: | C24 H23 N7 O2 S |
| Formal charge: | 0 |
| Formula weight: | 473.55 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(3-phenoxyphenyl)-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H23N7O2S/c32-22(15-17-6-4-9-20(14-17)33-19-7-2-1-3-8-19)27-24-30-29-23(34-24)26-18-11-13-31(16-18)21-10-5-12-25-28-21/h1-10,12,14,18H,11,13,15-16H2,(H,26,29)(H,27,30,32)/t18-/m1/s1 |
| InChIKey | InChI | 1.06 | JOKJBMFEUFULOX-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cccc(Oc2ccccc2)c1)Nc3sc(N[C@@H]4CCN(C4)c5cccnn5)nn3 |
| SMILES | CACTVS | 3.385 | O=C(Cc1cccc(Oc2ccccc2)c1)Nc3sc(N[CH]4CCN(C4)c5cccnn5)nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)CC(=O)Nc3nnc(s3)N[C@@H]4CCN(C4)c5cccnn5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)CC(=O)Nc3nnc(s3)NC4CCN(C4)c5cccnn5 |
