Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L2YIV1
|
|||
| Ligand Name |
(3s)-1-{(1s,2r,4r)-4-[methyl(Propan-2-Yl)amino]-2-Propylcyclohexyl}-3-{[6-(Trifluoromethyl)quinazolin-4-Yl]amino}pyrrolidin-2-One
|
|||
| Synonyms |
CHEMBL3577945; (3s)-1-{(1s,2r,4r)-4-[methyl(Propan-2-Yl)amino]-2-Propylcyclohexyl}-3-{[6-(Trifluoromethyl)quinazolin-4-Yl]amino}pyrrolidin-2-One; (3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one; GTPL9430; SCHEMBL3731230; BDBM50089354; compound 13d [PMID: 25893046]; (S)-1-[(1S,2R,4R)-4-(isopropyl(methyl)amino)-2-propylcyclohexyl]-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one; 73R
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C26H36F3N5O
|
|||
| Canonical SMILES |
CCCC1CC(CCC1N2CCC(C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)F)N(C)C(C)C
|
|||
| InChI |
1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1
|
|||
| InChIKey |
NUJWKQSEJDYCDB-GNRVTEMESA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.