General Information of the Compound
| Compound ID |
CP0857004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Fluoro-2-{2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-1,4,4a,5,6,7-hexahydrocyclopenta[f]indazol-5-yl]ethyl}benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F2N3O2
|
||||||||||||||||||
| Molecular Weight |
449.501
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1c(F)cccc1C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25F2N3O2/c1-25-14-16-15-30-31(19-7-5-18(27)6-8-19)23(16)13-17(25)9-11-26(25,33)12-10-20-21(24(29)32)3-2-4-22(20)28/h2-8,13,15,33H,9-12,14H2,1H3,(H2,29,32)/t25-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXKOONOMKQNYFS-IZZNHLLZSA-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