General Information of the Compound
| Compound ID |
CP0487203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1S)-1-(2,3-dichloro-4-ethynylphenyl)ethyl]-1-methyl-1-[1-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
484.471
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)N(C)C1CCN(CC1)C1CCc2cc(C)ccc12)c1ccc(C#C)c(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31Cl2N3O/c1-5-19-7-10-22(26(29)25(19)28)18(3)30-27(33)31(4)21-12-14-32(15-13-21)24-11-8-20-16-17(2)6-9-23(20)24/h1,6-7,9-10,16,18,21,24H,8,11-15H2,2-4H3,(H,30,33)/t18-,24?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYBIEKJMYFPEHH-VEXWJQHLSA-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