General Information of the Compound
| Compound ID |
CP0163641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
12-chloro-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15ClN6O
|
||||||||||||||||||
| Molecular Weight |
318.768
|
||||||||||||||||||
| Canonical SMILES |
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)cnc3oc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15ClN6O/c1-17-8-2-3-21(6-8)12-11-10(19-14(16)20-12)9-4-7(15)5-18-13(9)22-11/h4-5,8,17H,2-3,6H2,1H3,(H2,16,19,20)/t8-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCLILBHBGZEDKK-MRVPVSSYSA-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