General Information of the Compound
| Compound ID |
CP0387368
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1S)-1-[2,3-dichloro-4-(2-cyclopropylethynyl)phenyl]ethyl]-1-methyl-1-[1-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H37Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
602.61
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)N(C)C1CCN(CC1)[C@@H]1CCc2cc(ccc12)-c1cc(C)ncn1)c1ccc(C#CC2CC2)c(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37Cl2N5O/c1-21-18-30(38-20-37-21)26-9-12-29-25(19-26)10-13-31(29)41-16-14-27(15-17-41)40(3)34(42)39-22(2)28-11-8-24(32(35)33(28)36)7-6-23-4-5-23/h8-9,11-12,18-20,22-23,27,31H,4-5,10,13-17H2,1-3H3,(H,39,42)/t22-,31+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMPZVRCHAQPPRH-WKRVVKTRSA-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
Protein ID: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2