Details
Stereochemistry | ACHIRAL |
Molecular Formula | C28H32N4O2 |
Molecular Weight | 456.5803 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCc1cc2c(cc1N3CCC(CC3)NCCO)C(C)(C)c4c(c5ccc(cc5[nH]4)C#N)C2=O
InChI
InChIKey=XNKBNGIKXNABDO-UHFFFAOYSA-N
InChI=1S/C28H32N4O2/c1-4-18-14-21-22(15-24(18)32-10-7-19(8-11-32)30-9-12-33)28(2,3)27-25(26(21)34)20-6-5-17(16-29)13-23(20)31-27/h5-6,13-15,19,30-31,33H,4,7-12H2,1-3H3
Molecular Formula | C28H32N4O2 |
Molecular Weight | 456.5803 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 00:03:38 UTC 2021
by
admin
on
Sat Jun 26 00:03:38 UTC 2021
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Record UNII |
6L7WLR552I
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English |
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66835300
Created by
admin on Sat Jun 26 00:03:38 UTC 2021 , Edited by admin on Sat Jun 26 00:03:38 UTC 2021
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6L7WLR552I
Created by
admin on Sat Jun 26 00:03:38 UTC 2021 , Edited by admin on Sat Jun 26 00:03:38 UTC 2021
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1256585-04-2
Created by
admin on Sat Jun 26 00:03:38 UTC 2021 , Edited by admin on Sat Jun 26 00:03:38 UTC 2021
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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BINDER->LIGAND |
BINDING
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TRANSPORTER -> SUBSTRATE |
Related Record | Type | Details | ||
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PARENT -> METABOLITE ACTIVE |
MAJOR
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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Volume of Distribution | PHARMACOKINETIC |
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