B99
Summary
| Name: | (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine |
| Formula: | C28 H25 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 463.53 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-1-[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-(1H-indol-3-yl)propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1[nH]nc2ccc(cc12)c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3c6cocc6 |
| SMILES | CACTVS | 3.352 | Cc1[nH]nc2ccc(cc12)c3cc(OC[CH](N)Cc4c[nH]c5ccccc45)cnc3c6cocc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OC[C@H](Cc5c[nH]c6c5cccc6)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OCC(Cc5c[nH]c6c5cccc6)N |
| InChI | InChI | 1.03 | InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | XONRTPBYDAFIRW-NRFANRHFSA-N |
