Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H31N3O3.2ClH |
| Molecular Weight | 458.422 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.COC1=CC=CC=C1N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2
InChI
InChIKey=NIBOMXUDFLRHRV-UHFFFAOYSA-N
InChI=1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22;;/h2-3,6-7H,4-5,8-17H2,1H3;2*1H
| Molecular Formula | C22H31N3O3 |
| Molecular Weight | 385.4998 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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 09:57:48 UTC 2023
by
admin
on
Sat Dec 16 09:57:48 UTC 2023
|
| Record UNII |
KC07KV8T5O
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID10175334
Created by
admin on Sat Dec 16 09:57:48 UTC 2023 , Edited by admin on Sat Dec 16 09:57:48 UTC 2023
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210172
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21102-95-4
Created by
admin on Sat Dec 16 09:57:48 UTC 2023 , Edited by admin on Sat Dec 16 09:57:48 UTC 2023
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BMY-7378
Created by
admin on Sat Dec 16 09:57:48 UTC 2023 , Edited by admin on Sat Dec 16 09:57:48 UTC 2023
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KC07KV8T5O
Created by
admin on Sat Dec 16 09:57:48 UTC 2023 , Edited by admin on Sat Dec 16 09:57:48 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Binding assay
IC50
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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