General Information of the Compound
| Compound ID |
CP0969210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ATAMPARIB
Show/Hide
|
||||||||||||||||||
| Synonyms |
2381037-82-5
3(2H)-Pyridazinone, 5-(((1S)-1-methyl-2-(3-oxo-3-(4-(5-(trifluoromethyl)-2-pyrimidinyl)-1-piperazinyl)propoxy)ethyl)amino)-4-(trifluoromethyl)-
5-(((2S)-1-(3-Oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2- yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4- (trifluoromethyl)pyridazin-3(2H)-one
Atamparib
Atamparib [INN]
B1MW2ME77A
BCP33764
CS-0120272
EX-A4038
HY-136174
NSC-825956
NSC825956
RBN-2397
RBN2397
RBN2397;RBN 2397
SCHEMBL21521281
UNII-B1MW2ME77A
s8993
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23F6N7O3
|
||||||||||||||||||
| Molecular Weight |
523.438
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](COCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQZCQKXJAXKZQH-LBPRGKRZSA-N
|
||||||||||||||||||
| CAS |
2381037-82-5
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Clinical Information about the Compound