Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H25N5 |
| Molecular Weight | 287.4032 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(CC)C1=NC2=CC=NN2C(N[C@H]3CC[C@H](N)C3)=C1
InChI
InChIKey=VYKCLMALANGCDF-STQMWFEESA-N
InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3/t12-,13-/m0/s1
| Molecular Formula | C16H25N5 |
| Molecular Weight | 287.4032 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:59:35 GMT 2023
by
admin
on
Sat Dec 16 17:59:35 GMT 2023
|
| Record UNII |
F7J6KSY5I8
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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146502834
Created by
admin on Sat Dec 16 17:59:37 GMT 2023 , Edited by admin on Sat Dec 16 17:59:37 GMT 2023
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2416873-83-9
Created by
admin on Sat Dec 16 17:59:37 GMT 2023 , Edited by admin on Sat Dec 16 17:59:37 GMT 2023
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PRIMARY | |||
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F7J6KSY5I8
Created by
admin on Sat Dec 16 17:59:37 GMT 2023 , Edited by admin on Sat Dec 16 17:59:37 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> ENANTIOMER |
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SALT/SOLVATE -> PARENT |
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METABOLIC ENZYME -> NON-INHIBITOR |
IC50
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METABOLIC ENZYME -> NON-INHIBITOR |
IC50
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METABOLIC ENZYME -> NON-INHIBITOR |
IC50
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METABOLIC ENZYME -> NON-INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IN-VITRO
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METABOLIC ENZYME -> INHIBITOR |
IC50
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BINDER->LIGAND |
BINDING
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![Structure of (1R,3R)-3-Amino-1-[5-(1-ethylpropyl)-1,4,7a-triazainden-7-ylamino]cyclopentane](/img/e53ea862-0fe1-4e1a-9453-079ac8a50aa6.svg "Structure of (1R,3R)-3-Amino-1-[5-(1-ethylpropyl)-1,4,7a-triazainden-7-ylamino]cyclopentane")
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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