Details
| Stereochemistry | MIXED |
| Molecular Formula | C33H31F3N6O2 |
| Molecular Weight | 600.6334 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=CC(C2=NC=C3C(=NC(OC[C@@]45CCCN4C[C@H](F)C5)=NC3=C2F)N6CC7CCC(C6)N7)=C8C(C=CC(F)=C8C#C)=C1
InChI
InChIKey=SCLLZBIBSFTLIN-IFMUVJFISA-N
InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20?,21?,33+/m1/s1
| Molecular Formula | C33H31F3N6O2 |
| Molecular Weight | 600.6334 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:31:03 GMT 2023
by
admin
on
Sat Dec 16 19:31:03 GMT 2023
|
| Record UNII |
DU32DM9CHD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Code | English | ||
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Systematic Name | English | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C200319
Created by
admin on Sat Dec 16 19:31:03 GMT 2023 , Edited by admin on Sat Dec 16 19:31:03 GMT 2023
|
PRIMARY | |||
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2621928-55-8
Created by
admin on Sat Dec 16 19:31:03 GMT 2023 , Edited by admin on Sat Dec 16 19:31:03 GMT 2023
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PRIMARY | |||
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156124857
Created by
admin on Sat Dec 16 19:31:03 GMT 2023 , Edited by admin on Sat Dec 16 19:31:03 GMT 2023
|
PRIMARY | |||
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DU32DM9CHD
Created by
admin on Sat Dec 16 19:31:03 GMT 2023 , Edited by admin on Sat Dec 16 19:31:03 GMT 2023
|
PRIMARY |
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|---|---|---|---|---|
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Kd
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TARGET -> INHIBITOR |
AlphaLISA assay; No activity against wild-type enzyme
IC50
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TARGET -> INHIBITOR |
pERK AGS assay
IC50
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CELL->INHIBITOR |
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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