General Information of the Compound
| Compound ID |
CP0395299
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S)-N-(diaminomethylidene)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H19N3O
|
||||||||||||||||||
| Molecular Weight |
245.326
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NC(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H19N3O/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13(18)17-14(15)16/h3-6,8,11-12H,7H2,1-2H3,(H4,15,16,17,18)/t11-,12+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEDFGANMDRCNSI-NEPJUHHUSA-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