Compound Summary
O21
Compound Information
O21
Compound Name: | O21 |
Compound CID: | 138403243 |
Synonyms: | O21 More... |
Iupac Name: | N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]pyrimidin-4-yl]amino]phenyl]-3-sulfanylpropanamide |
InChI: | InChI=1S/C30H38Cl2N8O4S/c1-38-12-14-39(15-13-38)10-6-11-40(30(42)37-29-27(31)22(43-2)17-23(44-3)28(29)32)25-18-24(33-19-34-25)35-20-7-4-5-8-21(20)36-26(41)9-16-45/h4-5,7-8,17-19,45H,6,9-16H2,1-3H3,(H,36,41)(H,37,42)(H,33,34,35) |
InChIKey: | NYIALFJSRUCYMI-UHFFFAOYSA-N |
Canonical Smiles: | CN1CCN(CC1)CCCN(C2=NC=NC(=C2)NC3=CC=CC=C3NC(=O)CCS)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl |
Isomeric Smiles: | CN1CCN(CC1)CCCN(C2=NC=NC(=C2)NC3=CC=CC=C3NC(=O)CCS)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl |
Molecular Weight: | 677.6 |
Molecular Formula: | C30H38Cl2N8O4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
O21
Molecular Weight: | 677.6 |
Molecular Formula: | C30H38Cl2N8O4S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 13 |
Heavy Atom Count: | 45 |
Complexity: | 907 |
Synonyms
O21
| O21 | O21 |
|---|---|
O21 |
Experimental Data
O21
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 60.000000000000000 | umol/L | 20.800000000000000 | 22.400000000000000 | 7.900000000000000 | NS | N2 | 31879284 | Inactive |
Experimental Data Visualization
O21
Statistics Data
O21
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 7.900000000000000 | 1 | 1 |
Statistics Data Visualization
O21
