General Information of the Compound
| Compound ID |
CP0482305
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1S)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethyl]-1-methyl-1-[1-[5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
578.588
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCN(CC1)C1CCc2cc(ccc12)-c1cc(C)ncn1)C(=O)N[C@@H](CC1CC1)c1cccc(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37Cl2N5O/c1-20-16-28(36-19-35-20)23-8-10-25-22(18-23)9-11-30(25)39-14-12-24(13-15-39)38(2)32(40)37-29(17-21-6-7-21)26-4-3-5-27(33)31(26)34/h3-5,8,10,16,18-19,21,24,29-30H,6-7,9,11-15,17H2,1-2H3,(H,37,40)/t29-,30?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IAOSWRKSTBNXKT-UFXYQILXSA-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