Compound Summary
Compound Information
U-74389G maleate
Compound Name: | U-74389G maleate |
Compound CID: | 9896684 |
Synonyms: | U-74389G maleate u-74389g 153190-29-5 (Z)-but-2-enedioic acid;(8S,10S,13S,14S,17S)-17-2-4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-ylacetyl-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopentaaphenanthren-3-one 21-4-(2,6-Di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinylpregna-1,4,911-triene-3,20-dione maleate salt More... |
Iupac Name: | (Z)-but-2-enedioic acid;(8S,10S,13S,14S,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
InChI: | InChI=1S/C37H50N6O2.C4H4O4/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43;5-3(6)1-2-4(7)8/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t28-,29-,31+,36-,37-;/m0./s1 |
InChIKey: | ABCSSKWSUJMJCP-WQDFMEOSSA-N |
Canonical Smiles: | CC12CC=C3C(C1CCC2C(=O)CN4CCN(CC4)C5=NC(=NC(=C5)N6CCCC6)N7CCCC7)CCC8=CC(=O)C=CC83C.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | C[C@]12CC=C3[C@H]([C@@H]1CC[C@@H]2C(=O)CN4CCN(CC4)C5=NC(=NC(=C5)N6CCCC6)N7CCCC7)CCC8=CC(=O)C=C[C@@]83C.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 726.9 |
Molecular Formula: | C41H54N6O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
U-74389G maleate
Molecular Weight: | 726.9 |
Molecular Formula: | C41H54N6O6 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 53 |
Complexity: | 1380 |
Synonyms
U-74389G maleate
| U-74389G maleate | U-74389G maleate |
|---|---|
U-74389G maleate |
u-74389g |
153190-29-5 |
(Z)-but-2-enedioic acid;(8S,10S,13S,14S,17S)-17-2-4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-ylacetyl-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopentaaphenanthren-3-one |
21-4-(2,6-Di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinylpregna-1,4,911-triene-3,20-dione maleate salt |
SR-01000076187 |
MLS000859956 |
CHEMBL1256186 |
SCHEMBL17768333 |
DTXSID001017666 |
HMS2231N09 |
HMS3263D12 |
HMS3649I08 |
Tox21_501215 |
MFCD01074991 |
CCG-207915 |
LP01215 |
NCGC00261900-01 |
SMR000326815 |
EU-0101215 |
U 5882 |
J-008989 |
SR-01000076187-1 |
SR-01000076187-5 |
21-(4-2,6-di-1-Pyrrolidinyl-4-pyrimidinyl-1-piperazinyl)pregna-1,4,911-triene-3,20-dione (Z)-2-butenedioate maleate |
Experimental Data
U-74389G maleate
| 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 | 6 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
U-74389G maleate
Statistics Data
U-74389G maleate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6 | 1 | 1 |
Statistics Data Visualization
U-74389G maleate
