General Information of the Compound
| Compound ID |
CP0576583
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]pyridin-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29N3O3
|
||||||||||||||||||
| Molecular Weight |
371.481
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29N3O3/c1-14(2)12-21(4,22)13-27-18-7-6-16(10-15(18)3)17-8-9-23-19(11-17)24-20(25)26-5/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXMDTZHAXIIOSY-NRFANRHFSA-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 | |||||||||||||||||||
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