General Information of the Compound
| Compound ID |
CP0232139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[6-[[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]amino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N10O3S
|
||||||||||||||||||
| Molecular Weight |
574.671
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C(=O)C(=O)Nc1cc2c(Nc3cc(C)n[nH]3)nc(Sc3ccc(NC(=O)C4CC4)cc3)nn2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N10O3S/c1-16-13-22(33-32-16)30-23-21-14-19(29-25(39)26(40)36-11-9-35(2)10-12-36)15-37(21)34-27(31-23)41-20-7-5-18(6-8-20)28-24(38)17-3-4-17/h5-8,13-15,17H,3-4,9-12H2,1-2H3,(H,28,38)(H,29,39)(H2,30,31,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCMPDMAJYNSKMW-UHFFFAOYSA-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