General Information of the Compound
| Compound ID |
CP0413693
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-(4-chloro-3-fluorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
475.996
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31ClFN5O2/c1-14(2)27-12-17(16-4-5-18(25)19(26)11-16)24(33)31-8-6-30(7-9-31)23-21-15(3)10-20(32)22(21)28-13-29-23/h4-5,11,13-15,17,20,27,32H,6-10,12H2,1-3H3/t15-,17-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACYVWONXYYNPDK-WRWLIDTKSA-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