General Information of the Compound
| Compound ID |
CP0302106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2S,4S)-4-(4-cyclopropyltriazol-1-yl)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N5O2
|
||||||||||||||||||
| Molecular Weight |
421.545
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N5O2/c30-23(10-6-9-18-7-2-1-3-8-18)28-16-20(29-17-21(25-26-29)19-11-12-19)15-22(28)24(31)27-13-4-5-14-27/h1-3,7-8,17,19-20,22H,4-6,9-16H2/t20-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBMSSHPBPUWMQA-UNMCSNQZSA-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