Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H22N10O13P2.2Na |
Molecular Weight | 718.3749 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]3O[C@@H]4COP([O-])(=O)O[C@@H]5[C@@H](COP([O-])(=O)O[C@@H]3[C@@H]4O)O[C@H]([C@@H]5O)N6C=NC7=C(N)N=CN=C67
InChI
InChIKey=CNVCOPPPOWRJAV-DQNSRKNCSA-L
InChI=1S/C20H24N10O13P2.2Na/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33;;/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33);;/q;2*+1/p-2/t6-,7-,10-,11-,12-,13-,18-,19-;;/m1../s1
Molecular Formula | C20H22N10O13P2 |
Molecular Weight | 672.3954 |
Charge | -2 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: Q86WV6 Gene ID: 340061.0 Gene Symbol: TMEM173 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23747010 |
3.79 nM [Kd] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:28:42 GMT 2023
by
admin
on
Sat Dec 16 19:28:42 GMT 2023
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Record UNII |
JX6B238JSL
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Record Status |
Validated (UNII)
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Record Version |
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-
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2734858-36-5
Created by
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JX6B238JSL
Created by
admin on Sat Dec 16 19:28:42 GMT 2023 , Edited by admin on Sat Dec 16 19:28:42 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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