Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H22N2S |
| Molecular Weight | 322.467 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C([C@H]1CN2CCC1CC2)N3C4=C(SC5=C3C=CC=C5)C=CC=C4
InChI
InChIKey=HOKDBMAJZXIPGC-MRXNPFEDSA-N
InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m1/s1
| Molecular Formula | C20H22N2S |
| Molecular Weight | 322.467 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:04:55 UTC 2023
by
admin
on
Sat Dec 16 08:04:55 UTC 2023
|
| Record UNII |
05VP796JC6
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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05VP796JC6
Created by
admin on Sat Dec 16 08:04:55 UTC 2023 , Edited by admin on Sat Dec 16 08:04:55 UTC 2023
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147780-50-5
Created by
admin on Sat Dec 16 08:04:55 UTC 2023 , Edited by admin on Sat Dec 16 08:04:55 UTC 2023
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3246605
Created by
admin on Sat Dec 16 08:04:55 UTC 2023 , Edited by admin on Sat Dec 16 08:04:55 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER | |||
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TARGET -> INHIBITOR |
S-ISOMER BINDS WITH LESS AVIDITY
IC50
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ACTIVE MOIETY |
