Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H16F4N6O2 |
Molecular Weight | 472.3951 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N4CCN5N=C(N=C5C4)C(F)(F)F
InChI
InChIKey=XJGXCBHXFWBOTN-UHFFFAOYSA-N
InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)
Molecular Formula | C22H16F4N6O2 |
Molecular Weight | 472.3951 |
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
Sat Dec 16 14:58:55 GMT 2023
by
admin
on
Sat Dec 16 14:58:55 GMT 2023
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Record UNII |
TWF0ML1CK8
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Record Status |
Validated (UNII)
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Record Version |
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-
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DB15637
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11725
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1358715-18-0
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admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
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C126274
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admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
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300000010743
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TWF0ML1CK8
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56649297
Created by
admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
Fluzoparib was well ordered in the catalytic active site of PARP1 with the same binding mode as olaparib.
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |