General Information of the Compound
| Compound ID |
CP0467813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2,3-dichlorophenyl)methyl]-1-methyl-1-[1-[5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
524.496
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCN(CC1)C1CCc2cc(ccc12)-c1cc(C)ncn1)C(=O)NCc1cccc(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31Cl2N5O/c1-18-14-25(33-17-32-18)20-6-8-23-19(15-20)7-9-26(23)35-12-10-22(11-13-35)34(2)28(36)31-16-21-4-3-5-24(29)27(21)30/h3-6,8,14-15,17,22,26H,7,9-13,16H2,1-2H3,(H,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHZALZGYLUFYCK-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