General Information of the Compound
| Compound ID |
CP0474339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8835444, 4.4
Show/Hide
|
||||||||||||||||||
| Formula |
C19H25ClN4O2
|
||||||||||||||||||
| Molecular Weight |
376.888
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CO)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25ClN4O2/c1-12-7-17(11-25)24(23-12)10-14-3-5-16(6-4-14)22-19(26)18-8-15(20)9-21-13(18)2/h7-9,14,16,25H,3-6,10-11H2,1-2H3,(H,22,26)/t14-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACRFXQOGJGDSAR-KOMQPUFPSA-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