General Information of the Compound
| Compound ID |
CP0132420
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((S)-1-(difluoro-1H-benzo[d]imidazol-2-yl)(3-(4-methylpiperazin-1-yl)propyl)amino)bicyclo[4.1.0]heptan-1-yl)benzyl)pyrrolidin-2-yl)methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H46F2N6O
|
||||||||||||||||||
| Molecular Weight |
592.779
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCC[C@H]3CO)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H46F2N6O/c1-39-13-15-40(16-14-39)10-4-12-42(33-37-31-19-29(35)30(36)20-32(31)38-33)27-8-9-34(21-26(34)18-27)25-6-2-5-24(17-25)22-41-11-3-7-28(41)23-43/h2,5-6,17,19-20,26-28,43H,3-4,7-16,18,21-23H2,1H3,(H,37,38)/t26-,27+,28-,34+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQLUIXRFWRPBOB-CWFKBQJKSA-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