General Information of the Compound
| Compound ID |
CP0439882
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-[(3S,4S)-3-(4-Benzotriazol-1-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H39N5O2
|
||||||||||||||||||
| Molecular Weight |
501.675
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2nnc3ccccc23)[C@H](C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39N5O2/c36-30(37)29(23-11-5-2-6-12-23)34-20-24(26(21-34)22-9-3-1-4-10-22)19-33-17-15-25(16-18-33)35-28-14-8-7-13-27(28)31-32-35/h1,3-4,7-10,13-14,23-26,29H,2,5-6,11-12,15-21H2,(H,36,37)/t24-,26+,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QISMFKACLOKXEM-IHTKTJBKSA-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