General Information of the Compound
| Compound ID |
CP0179649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[(1R,3R)-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclopentyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17N5O2
|
||||||||||||||||||
| Molecular Weight |
299.334
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@@H]1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17N5O2/c1-22-15(21)19-9-2-3-10(6-9)20-8-18-12-7-17-14-11(13(12)20)4-5-16-14/h4-5,7-10H,2-3,6H2,1H3,(H,16,17)(H,19,21)/t9-,10-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHOOARRVSBTDLY-NXEZZACHSA-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