Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H17Cl2FN4OS |
Molecular Weight | 427.323 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1N=CC(Cl)=C1C2=C(Cl)SC(=C2)C(=O)N[C@H](CN)CC3=CC=CC(F)=C3
InChI
InChIKey=AFJRDFWMXUECEW-LBPRGKRZSA-N
InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1
Molecular Formula | C18H17Cl2FN4OS |
Molecular Weight | 427.323 |
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
Fri Dec 15 17:28:16 UTC 2023
by
admin
on
Fri Dec 15 17:28:16 UTC 2023
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Record UNII |
8739X25QI3
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C155764
Created by
admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
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ZZ-02
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100000168977
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9666
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46843057
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C82390
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DTXSID60146711
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DB11648
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SUB182525
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1047644-62-1
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8739X25QI3
Created by
admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
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CHEMBL2219422
Created by
admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
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ACTIVE MOIETY |