General Information of the Compound
| Compound ID |
CP0341208
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)-2-[[(3S)-oxolan-3-yl]amino]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N3O3
|
||||||||||||||||||
| Molecular Weight |
421.541
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Cc2c(c3CCCCc3n2-c2ccc(C(N)=O)c(N[C@H]3CCOC3)c2)C(=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O3/c1-25(2)12-21-23(22(29)13-25)18-5-3-4-6-20(18)28(21)16-7-8-17(24(26)30)19(11-16)27-15-9-10-31-14-15/h7-8,11,15,27H,3-6,9-10,12-14H2,1-2H3,(H2,26,30)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRFHTXGPVLSYHB-HNNXBMFYSA-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