General Information of the Compound
| Compound ID |
CP0401953
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-N-[3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-2-oxo-2,3-dihydro-1H-indol-5-yl]-4-(4-methyl-piperazin-1-ylmethyl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N5O2
|
||||||||||||||||||
| Molecular Weight |
469.589
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc3NC(=O)\C(=C/c4[nH]c(C)cc4C)c3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N5O2/c1-18-14-19(2)29-26(18)16-24-23-15-22(8-9-25(23)31-28(24)35)30-27(34)21-6-4-20(5-7-21)17-33-12-10-32(3)11-13-33/h4-9,14-16,29H,10-13,17H2,1-3H3,(H,30,34)(H,31,35)/b24-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OAOIBNCLBKKVQA-JLPGSUDCSA-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