General Information of the Compound
| Compound ID |
CP0954004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-(((5R)-5-((7-Fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl)-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)carbonyl)azetidin-3-yl)acetic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31FN4O5
|
||||||||||||||||||
| Molecular Weight |
510.566
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(n1)CCN(C(=O)N1CC(CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31FN4O5/c1-27(2)8-6-16-11-17(12-19(28)23(16)27)29-25(35)24-18-4-5-21(37-3)30-20(18)7-9-32(24)26(36)31-13-15(14-31)10-22(33)34/h4-5,11-12,15,24H,6-10,13-14H2,1-3H3,(H,29,35)(H,33,34)/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIUTYGSXGXDJEI-XMMPIXPASA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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