General Information of the Compound
| Compound ID |
CP0429340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N4O3
|
||||||||||||||||||
| Molecular Weight |
488.632
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N4O3/c1-17-19(8-6-9-23(17)31-25(34)10-7-15-33(4)5)20-13-14-22(28(30)35)27-26(20)21-12-11-18(29(2,3)36)16-24(21)32-27/h6-10,13-14,18,32,36H,11-12,15-16H2,1-5H3,(H2,30,35)(H,31,34)/b10-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPPMCSWUCNZRFS-JXMROGBWSA-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