General Information of the Compound
| Compound ID |
CP0462116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[[(E)-but-2-enoyl]amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N3O3
|
||||||||||||||||||
| Molecular Weight |
445.563
|
||||||||||||||||||
| Canonical SMILES |
C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N3O3/c1-5-7-23(31)29-21-9-6-8-17(15(21)2)18-12-13-20(26(28)32)25-24(18)19-11-10-16(27(3,4)33)14-22(19)30-25/h5-9,12-13,16,30,33H,10-11,14H2,1-4H3,(H2,28,32)(H,29,31)/b7-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCQKKSLAELJQFN-FNORWQNLSA-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