SS5
Summary
| Name: | (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE |
| Formula: | C29 H34 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 470.606 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-[3-(cyclohexylmethoxy)phenyl]-3-[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy-propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(c1cccc(c1)CC(N)COc4cc(c2cc3c(cc2)nnc3C)cnc4)CC5CCCCC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1n[nH]c2ccc(cc12)c3cncc(OC[C@@H](N)Cc4cccc(OCC5CCCCC5)c4)c3 |
| SMILES | CACTVS | 3.341 | Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4cccc(OCC5CCCCC5)c4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4cccc(c4)OCC5CCCCC5)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OCC(Cc4cccc(c4)OCC5CCCCC5)N |
| InChI | InChI | 1.03 | InChI=1S/C29H34N4O2/c1-20-28-15-23(10-11-29(28)33-32-20)24-14-27(17-31-16-24)35-19-25(30)12-22-8-5-9-26(13-22)34-18-21-6-3-2-4-7-21/h5,8-11,13-17,21,25H,2-4,6-7,12,18-19,30H2,1H3,(H,32,33)/t25-/m0/s1 |
| InChIKey | InChI | 1.03 | MFYOLTIJRSXVBH-VWLOTQADSA-N |
