Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H28ClN5O3S |
Molecular Weight | 478.007 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)N2C=CC3=C(N[C@H](CC)CC4=C(Cl)C=CS4)N=CN=C23
InChI
InChIKey=CKQOOYMMAAPDKH-QODLLSGVSA-N
InChI=1S/C22H28ClN5O3S/c1-3-12(9-17-15(23)6-8-32-17)27-20-13-5-7-28(21(13)26-11-25-20)16-10-14(18(29)19(16)30)22(31)24-4-2/h5-8,11-12,14,16,18-19,29-30H,3-4,9-10H2,1-2H3,(H,24,31)(H,25,26,27)/t12-,14+,16-,18-,19+/m1/s1
Molecular Formula | C22H28ClN5O3S |
Molecular Weight | 478.007 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:33:54 GMT 2023
by
admin
on
Sat Dec 16 08:33:54 GMT 2023
|
Record UNII |
3NM730M24E
|
Record Status |
Validated (UNII)
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Record Version |
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-
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213453-89-5
Created by
admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
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3NM730M24E
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admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
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CHEMBL3545163
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admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
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72941762
Created by
admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
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DTXSID601026029
Created by
admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
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Related Record | Type | Details | ||
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ACTIVE MOIETY |