General Information of the Compound
| Compound ID |
CP0494105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32ClN5O2
|
||||||||||||||||||
| Molecular Weight |
458.006
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2CC[C@@H](CO)c12)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32ClN5O2/c1-16(2)26-13-20(17-3-6-19(25)7-4-17)24(32)30-11-9-29(10-12-30)23-22-18(14-31)5-8-21(22)27-15-28-23/h3-4,6-7,15-16,18,20,26,31H,5,8-14H2,1-2H3/t18-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHHPZWJUTYTTMC-AZUAARDMSA-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