Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LA3B4X
|
|||
| Ligand Name |
N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)
|
|||
| Synonyms |
N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide); GXH-II-083; GLXC-26038; N,N'-((4,7,10,13,16-Pentaoxanonadecanedioyl)bis(piperidine-1,4-diyl))bis(4-((4-((4-chloro-3-((1,1-dimethylethyl)sulfonamido)phenyl)amino)-5-methylpyrimidin-2-yl)amino)-2-fluorobenzamide); XR4
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C68H88Cl2F2N14O13S2
|
|||
| Canonical SMILES |
CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)NS(=O)(=O)C(C)(C)C)NC3=CC(=C(C=C3)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)C6=C(C=C(C=C6)NC7=NC=C(C(=N7)NC8=CC(=C(C=C8)Cl)NS(=O)(=O)C(C)(C)C)C)F)F
|
|||
| InChI |
1S/C68H88Cl2F2N14O13S2/c1-43-41-73-65(81-61(43)75-49-11-15-53(69)57(39-49)83-100(91,92)67(3,4)5)79-47-9-13-51(55(71)37-47)63(89)77-45-17-23-85(24-18-45)59(87)21-27-95-29-31-97-33-35-99-36-34-98-32-30-96-28-22-60(88)86-25-19-46(20-26-86)78-64(90)52-14-10-48(38-56(52)72)80-66-74-42-44(2)62(82-66)76-50-12-16-54(70)58(40-50)84-101(93,94)68(6,7)8/h9-16,37-42,45-46,83-84H,17-36H2,1-8H3,(H,77,89)(H,78,90)(H2,73,75,79,81)(H2,74,76,80,82)
|
|||
| InChIKey |
VLYMRIROHVATMC-UHFFFAOYSA-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.