Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C40H46N4O6 |
Molecular Weight | 678.8164 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC(=O)OC2=CC(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)=CC=C12
InChI
InChIKey=IKNOZZKXIDSTRN-PXLJZGITSA-N
InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48)/t34-,35-/m0/s1
Molecular Formula | C40H46N4O6 |
Molecular Weight | 678.8164 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3176 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19053761 |
24.0 µM [Kd] | ||
Target ID: CHEMBL4894 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19053761 |
12.0 µM [Kd] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:38:34 GMT 2023
by
admin
on
Sat Dec 16 15:38:34 GMT 2023
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Record UNII |
NK59Y4NQ33
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Record Status |
Validated (UNII)
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Record Version |
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5311268
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Galnon
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DTXSID301028771
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NK59Y4NQ33
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475115-35-6
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admin on Sat Dec 16 15:38:34 GMT 2023 , Edited by admin on Sat Dec 16 15:38:34 GMT 2023
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