General Information of the Compound
| Compound ID |
CP0553319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8-amino-3-[(3R,6S)-6-methyl-1-(oxolane-2-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H29F4N7O3
|
||||||||||||||||||
| Molecular Weight |
611.6
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29F4N7O3/c1-16-4-5-18(15-41(16)29(43)22-3-2-12-44-22)27-39-24(25-26(35)37-10-11-40(25)27)20-7-6-17(13-21(20)31)28(42)38-23-14-19(8-9-36-23)30(32,33)34/h6-11,13-14,16,18,22H,2-5,12,15H2,1H3,(H2,35,37)(H,36,38,42)/t16-,18+,22?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWGUBJMPOFYASI-OATREDKOSA-N
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound