General Information of the Compound
| Compound ID |
CP0557820
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2aS,7bS)-6-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,2,2a,7b-tetrahydrocyclobuta[b]indole-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21FN2O3
|
||||||||||||||||||
| Molecular Weight |
380.419
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N1[C@H]2CC[C@H]2c2cc(ccc12)C1(CC1)NC(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN2O3/c1-28-21(27)25-18-9-7-16(18)17-12-14(4-8-19(17)25)22(10-11-22)24-20(26)13-2-5-15(23)6-3-13/h2-6,8,12,16,18H,7,9-11H2,1H3,(H,24,26)/t16-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULNIHFOLHILCPG-WMZOPIPTSA-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 | |||||||||||||||||||
| 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