Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H49N11O5 |
| Molecular Weight | 763.8878 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)NC4=C3C=CC=N4)C(=O)N[C@@H](CC5CCNCC5)C(=O)N6CCN(CC6)C7=CC=NC=C7)=CC8=C1NN=C8
InChI
InChIKey=LIPVCPUZWNTQHV-SAIUNTKASA-N
InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1
| Molecular Formula | C40H49N11O5 |
| Molecular Weight | 763.8878 |
| 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 17:18:21 GMT 2023
by
admin
on
Sat Dec 16 17:18:21 GMT 2023
|
| Record UNII |
QP50ESO5RA
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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2097085-63-5
Created by
admin on Sat Dec 16 17:18:22 GMT 2023 , Edited by admin on Sat Dec 16 17:18:22 GMT 2023
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129072557
Created by
admin on Sat Dec 16 17:18:22 GMT 2023 , Edited by admin on Sat Dec 16 17:18:22 GMT 2023
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QP50ESO5RA
Created by
admin on Sat Dec 16 17:18:22 GMT 2023 , Edited by admin on Sat Dec 16 17:18:22 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Ki
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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