General Information of the Compound
| Compound ID |
CP0647653
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-N-(1-(3-amino-3-oxopropyl)-5-(N-methylbenzamido)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(3-aminostyryl)thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N6O3S
|
||||||||||||||||||
| Molecular Weight |
564.671
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=N\C(=O)c1ccc(/C=C/c3cccc(N)c3)s1)n2CCC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N6O3S/c1-36(30(40)21-7-3-2-4-8-21)23-11-14-26-25(19-23)34-31(37(26)17-16-28(33)38)35-29(39)27-15-13-24(41-27)12-10-20-6-5-9-22(32)18-20/h2-15,18-19H,16-17,32H2,1H3,(H2,33,38)(H,34,35,39)/b12-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPIBLFKCFTWPNY-ZRDIBKRKSA-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