Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H20Cl2N4O4S |
| Molecular Weight | 555.432 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C(=O)N(C(=O)[C@]12CN(CC3=CC(=CS3)C(O)=O)C[C@H]2C4=CC=C(C=C4)C#N)C5=CC(Cl)=CC(Cl)=C5
InChI
InChIKey=NXNKJLOEGWSJGI-BKMJKUGQSA-N
InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1
| Molecular Formula | C26H20Cl2N4O4S |
| Molecular Weight | 555.432 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Metabolite generation via microbial biotransformations with Actinomycetes: rapid screening for active strains and biosynthesis of important human metabolites of two development-stage compounds, 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101) and dasatinib. | 2008 Apr |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:56:40 GMT 2023
by
admin
on
Fri Dec 15 15:56:40 GMT 2023
|
| Record UNII |
5V7E4UQL93
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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509083-77-6
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5V7E4UQL93
Created by
admin on Fri Dec 15 15:56:40 GMT 2023 , Edited by admin on Fri Dec 15 15:56:40 GMT 2023
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11635371
Created by
admin on Fri Dec 15 15:56:40 GMT 2023 , Edited by admin on Fri Dec 15 15:56:40 GMT 2023
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