Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H24N6O3 |
| Molecular Weight | 384.4323 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(NC2=NC=NN3C=CC(CN4CC[C@@H](N)[C@H](O)C4)=C23)=CC=C1O
InChI
InChIKey=VNNZKEMSFTWFSE-GDBMZVCRSA-N
InChI=1S/C19H24N6O3/c1-28-17-8-13(2-3-15(17)26)23-19-18-12(4-7-25(18)22-11-21-19)9-24-6-5-14(20)16(27)10-24/h2-4,7-8,11,14,16,26-27H,5-6,9-10,20H2,1H3,(H,21,22,23)/t14-,16-/m1/s1
| Molecular Formula | C19H24N6O3 |
| Molecular Weight | 384.4323 |
| 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 14:38:54 UTC 2023
by
admin
on
Sat Dec 16 14:38:54 UTC 2023
|
| Record UNII |
JT3P76NUA8
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
JT3P76NUA8
Created by
admin on Sat Dec 16 14:38:55 UTC 2023 , Edited by admin on Sat Dec 16 14:38:55 UTC 2023
|
PRIMARY | |||
|
859853-76-2
Created by
admin on Sat Dec 16 14:38:55 UTC 2023 , Edited by admin on Sat Dec 16 14:38:55 UTC 2023
|
PRIMARY | |||
|
66952774
Created by
admin on Sat Dec 16 14:38:55 UTC 2023 , Edited by admin on Sat Dec 16 14:38:55 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
IC50
|
||
|
TARGET -> INHIBITOR |
BMS-690514 metabolite M2 showed HER2 inhibition similar to that of BMS-690514.
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
FECAL
|
||
|
PARENT -> METABOLITE |
MINOR
URINE
|
