Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C32H30F3N5O3 |
| Molecular Weight | 589.6075 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | MM2 minimum energy of E and Z are 110 and 112 kcal/mol respectively |
SHOW SMILES / InChI
SMILES
COC1CCC(CC1)\N=C2/C=C3N(C4=CC=C(OC(F)(F)F)C=C4)C5=C(C=CC=C5)N=C3C=C2NC6=C(OC)N=CC=C6
InChI
InChIKey=GUSGYHIQYWRCQO-NXEFEZKASA-N
InChI=1S/C32H30F3N5O3/c1-41-22-13-9-20(10-14-22)37-27-19-30-28(18-26(27)39-25-7-5-17-36-31(25)42-2)38-24-6-3-4-8-29(24)40(30)21-11-15-23(16-12-21)43-32(33,34)35/h3-8,11-12,15-20,22,39H,9-10,13-14H2,1-2H3/b37-27+
| Molecular Formula | C32H30F3N5O3 |
| Molecular Weight | 589.6075 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:55:35 UTC 2023
by
admin
on
Sat Dec 16 13:55:35 UTC 2023
|
| Record UNII |
TY9R7N6MS5
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Code | English | ||
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53377576
Created by
admin on Sat Dec 16 13:55:35 UTC 2023 , Edited by admin on Sat Dec 16 13:55:35 UTC 2023
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PRIMARY | |||
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TY9R7N6MS5
Created by
admin on Sat Dec 16 13:55:35 UTC 2023 , Edited by admin on Sat Dec 16 13:55:35 UTC 2023
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1353734-12-9
Created by
admin on Sat Dec 16 13:55:35 UTC 2023 , Edited by admin on Sat Dec 16 13:55:35 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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TARGET ORGANISM->INHIBITOR |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
