General Information of the Compound
| Compound ID |
CP0970546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-N-(3-aminopropyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H22F3N3O
|
||||||||||||||||||
| Molecular Weight |
401.432
|
||||||||||||||||||
| Canonical SMILES |
NCCCNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22F3N3O/c23-15-4-2-12(3-5-15)20-19(17-10-16(24)11-18(25)21(17)28-20)13-8-14(9-13)22(29)27-7-1-6-26/h2-5,10-11,13-14,28H,1,6-9,26H2,(H,27,29)/t13-,14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJAPNVPTVLIRPX-HDJSIYSDSA-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
|
||||||||||||||||||
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