General Information of the Compound
| Compound ID |
CP0177069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylazetidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19ClN6O
|
||||||||||||||||||
| Molecular Weight |
370.844
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)N1CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19ClN6O/c1-2-20-18(26)25-9-11(10-25)23-17-22-8-14(19)16(24-17)13-7-21-15-6-4-3-5-12(13)15/h3-8,11,21H,2,9-10H2,1H3,(H,20,26)(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JOEVFNUJASIMNC-UHFFFAOYSA-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