6HU
Summary
| Name: | (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol |
| Formula: | C23 H30 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 410.509 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-3-[3-[[2-(2-azanylethoxy)-4-methyl-5-(2-methylphenyl)phenyl]amino]pyrazol-1-yl]-2-methoxy-propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC(CO)Cn3ccc(Nc1cc(c(cc1OCCN)C)c2c(cccc2)C)n3 |
| InChI | InChI | 1.03 | InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | PUPHJJGGIHFEJD-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H](CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)c3ccccc3C)n1 |
| SMILES | CACTVS | 3.385 | CO[CH](CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)c3ccccc3C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)C[C@@H](CO)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)CC(CO)OC |
