General Information of the Compound
| Compound ID |
CP0542433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[7-[(3-chloro-4-fluorophenyl)carbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
544.115
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)Nc1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39ClFN5O2/c1-20(2)28(37)32-23-7-5-21-6-9-25(18-22(21)17-23)36(12-4-11-35-15-13-34(3)14-16-35)29(38)33-24-8-10-27(31)26(30)19-24/h5,7-8,10,17,19-20,25H,4,6,9,11-16,18H2,1-3H3,(H,32,37)(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KROXLQNVMVQKIP-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