General Information of the Compound
| Compound ID |
CP0298225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[(2S)-2-(methanesulfonamido)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29N5O3S
|
||||||||||||||||||
| Molecular Weight |
443.573
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC(=O)c1cccc(c1)-n1ncc2c(NC[C@H](C)NS(C)(=O)=O)cc(C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29N5O3S/c1-14(2)25-22(28)17-7-6-8-18(11-17)27-21-10-15(3)9-20(19(21)13-24-27)23-12-16(4)26-31(5,29)30/h6-11,13-14,16,23,26H,12H2,1-5H3,(H,25,28)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CJXNMAIIHSGYMS-INIZCTEOSA-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