Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H25N4O9P.C6H14N2O2 |
| Molecular Weight | 678.6273 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NCCCC[C@H](N)C(O)=O.COC1=C2C(=CN(COP(O)(O)=O)C2=C(OC)N=C1)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChIKey=ZBSWJVQMWMTXIV-ZSCHJXSPSA-N
InChI=1S/C23H25N4O9P.C6H14N2O2/c1-34-17-12-24-21(35-2)19-18(17)16(13-27(19)14-36-37(31,32)33)20(28)23(30)26-10-8-25(9-11-26)22(29)15-6-4-3-5-7-15;7-4-2-1-3-5(8)6(9)10/h3-7,12-13H,8-11,14H2,1-2H3,(H2,31,32,33);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
| Molecular Formula | C6H14N2O2 |
| Molecular Weight | 146.1876 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C23H25N4O9P |
| Molecular Weight | 532.4398 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. | 2009 Dec 10 |
|
| Heterobiaryl human immunodeficiency virus entry inhibitors. | 2009 Jul 23 |
|
| Inhibitors of HIV-1 attachment. Part 11: the discovery and structure-activity relationships associated with 4,6-diazaindole cores. | 2013 Jan 1 |
|
| Inhibitors of HIV-1 attachment. Part 7: indole-7-carboxamides as potent and orally bioavailable antiviral agents. | 2013 Jan 1 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:43:57 UTC 2023
by
admin
on
Fri Dec 15 15:43:57 UTC 2023
|
| Record UNII |
81NFT2V315
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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864953-34-4
Created by
admin on Fri Dec 15 15:43:57 UTC 2023 , Edited by admin on Fri Dec 15 15:43:57 UTC 2023
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81NFT2V315
Created by
admin on Fri Dec 15 15:43:57 UTC 2023 , Edited by admin on Fri Dec 15 15:43:57 UTC 2023
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73425508
Created by
admin on Fri Dec 15 15:43:57 UTC 2023 , Edited by admin on Fri Dec 15 15:43:57 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
