Details
Stereochemistry | ACHIRAL |
Molecular Formula | C29H32N4O3S |
Molecular Weight | 516.654 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCS(=O)(=O)NC1=CC2=C(NC(=O)\C2=C(/NC3=CC=C(CN4CCCCC4)C=C3)C5=CC=CC=C5)C=C1
InChI
InChIKey=GLDSKRNGVVYJAB-DQSJHHFOSA-N
InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
250.0 nM [IC50] | |||
Target ID: CHEMBL5914 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26056008 |
60.0 nM [IC50] |
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HESPERADIN
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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DTXSID00195086
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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PTR491OS14
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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1075200-91-7
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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70726
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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1552358
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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PRIMARY | RxNorm | ||
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422513-13-1
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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1265801-59-9
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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PTR491OS14
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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PRIMARY | |||
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10142586
Created by
admin on Sat Dec 16 07:59:39 GMT 2023 , Edited by admin on Sat Dec 16 07:59:39 GMT 2023
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PRIMARY |
ACTIVE MOIETY
SALT/SOLVATE (PARENT)