Compound Summary
Compound Information
S-(+)-PD 123177 trifluoroacetate salt hydrate
Compound Name: | S-(+)-PD 123177 trifluoroacetate salt hydrate |
Compound CID: | 51371122 |
Synonyms: | S-(+)-PD 123177 trifluoroacetate salt hydrate DTXSID801018018 HMS3260J21 Tox21_500210 CCG-221514 More... |
Iupac Name: | (6S)-1-[(4-amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid |
InChI: | InChI=1S/C29H28N4O3.C2HF3O2/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22;3-2(4,5)1(6)7/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36);(H,6,7)/t26-;/m0./s1 |
InChIKey: | KOWDWKYVRXDNNM-SNYZSRNZSA-N |
Canonical Smiles: | CC1=C(C=CC(=C1)CN2C=NC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N.C(=O)(C(F)(F)F)O |
Isomeric Smiles: | CC1=C(C=CC(=C1)CN2C=NC3=C2C[C@H](N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N.C(=O)(C(F)(F)F)O |
Molecular Weight: | 594.6 |
Molecular Formula: | C31H29F3N4O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
S-(+)-PD 123177 trifluoroacetate salt hydrate
Molecular Weight: | 594.6 |
Molecular Formula: | C31H29F3N4O5 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 43 |
Complexity: | 831 |
Synonyms
S-(+)-PD 123177 trifluoroacetate salt hydrate
| S-(+)-PD 123177 trifluoroacetate salt hydrate | S-(+)-PD 123177 trifluoroacetate salt hydrate |
|---|---|
S-(+)-PD 123177 trifluoroacetate salt hydrate |
DTXSID801018018 |
HMS3260J21 |
Tox21_500210 |
CCG-221514 |
LP00210 |
NCGC00260895-01 |
S-(+)-PO 123177 trifluoroacetate salt hydrate |
1197333-56-4 |
Experimental Data
S-(+)-PD 123177 trifluoroacetate salt hydrate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 2 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
S-(+)-PD 123177 trifluoroacetate salt hydrate
Statistics Data
S-(+)-PD 123177 trifluoroacetate salt hydrate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 2 | 1 | 1 |
Statistics Data Visualization
S-(+)-PD 123177 trifluoroacetate salt hydrate
