Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C27H29ClFN9O4 |
Molecular Weight | 598.028 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC(=O)O[C@@H](C)N1N=NN=C1C2=C(C=NN2C)C3=C(F)C=C(C=C3)C(=O)N([C@@H]4CCCNC4)C5=C(Cl)C=CC=N5
InChI
InChIKey=QTBYVAZRKWOIDU-FUHWJXTLSA-N
InChI=1S/C27H29ClFN9O4/c1-4-41-27(40)42-16(2)38-25(33-34-35-38)23-20(15-32-36(23)3)19-10-9-17(13-22(19)29)26(39)37(18-7-5-11-30-14-18)24-21(28)8-6-12-31-24/h6,8-10,12-13,15-16,18,30H,4-5,7,11,14H2,1-3H3/t16-,18+/m0/s1
Molecular Formula | C27H29ClFN9O4 |
Molecular Weight | 598.028 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:55:34 GMT 2023
by
admin
on
Sat Dec 16 14:55:34 GMT 2023
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Record UNII |
4H9X9HO87K
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Record Status |
Validated (UNII)
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Record Version |
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-
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300000041365
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1900686-46-5
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DB14862
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4H9X9HO87K
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admin on Sat Dec 16 14:55:34 GMT 2023 , Edited by admin on Sat Dec 16 14:55:34 GMT 2023
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121276853
Created by
admin on Sat Dec 16 14:55:34 GMT 2023 , Edited by admin on Sat Dec 16 14:55:34 GMT 2023
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Related Record | Type | Details | ||
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METABOLIC ENZYME -> SUBSTRATE |
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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METABOLITE ACTIVE -> PRODRUG |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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