Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H31ClF3N9O5 |
| Molecular Weight | 702.083 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC1=C(N2CCN(CC2)C(=O)C3=C(O)C(C)=NC=N3)C(=O)N4N=C(N=C4N1CC(=O)NC5=C(Cl)C=C(C=C5)C(F)(F)F)C6=CCOCC6
InChI
InChIKey=XKYVECRUZPCRQR-UHFFFAOYSA-N
InChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45)
| Molecular Formula | C31H31ClF3N9O5 |
| Molecular Weight | 702.083 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 14:32:30 GMT 2025
by
admin
on
Wed Apr 02 14:32:30 GMT 2025
|
| Record UNII |
SCH4CP6PRC
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
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Preferred Name | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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SCH4CP6PRC
Created by
admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
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300000047132
Created by
admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
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166140536
Created by
admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
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C210827
Created by
admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
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2869954-34-5
Created by
admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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OFF TARGET->NON-INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
Identified as a synthetic lethal target in cancer cells with microsatellite instability,induces apoptosis.
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| log P | CHEMICAL |
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| PERMEABILITY | PHARMACOKINETIC |
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CELLS BIOLOGICAL |
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| log D | CHEMICAL |
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pH CHEMICAL |
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