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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H36N6O3
Molecular Weight 528.6452
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Tacaciclib

SMILES

CC(C)[C@H](C(=O)NC1=NNC(=C1)C2CC2)C3=CC(=CC=C3)C4=CN=C(NC(=O)\C=C\CN5CCOCC5)C=C4

InChI

InChIKey=CVAXNGIXLUILFO-KPGJNUASSA-N
InChI=1S/C30H36N6O3/c1-20(2)29(30(38)33-27-18-25(34-35-27)21-8-9-21)23-6-3-5-22(17-23)24-10-11-26(31-19-24)32-28(37)7-4-12-36-13-15-39-16-14-36/h3-7,10-11,17-21,29H,8-9,12-16H2,1-2H3,(H,31,32,37)(H2,33,34,35,38)/b7-4+/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H36N6O3
Molecular Weight 528.6452
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:16:17 GMT 2023
Edited
by admin
on Fri Dec 15 19:16:17 GMT 2023
Record UNII
D3G4JKK1MA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tacaciclib
INN  
Official Name English
(αS)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-α-(1-methylethyl)-3-[6-[[(2E)-4-(4-morpholinyl)-1-oxo-2-buten-1-yl]amino]-3-pyridinyl]benzeneacetamide
Systematic Name English
Benzeneacetamide, N-(5-cyclopropyl-1H-pyrazol-3-yl)-α-(1-methylethyl)-3-[6-[[(2E)-4-(4-morpholinyl)-1-oxo-2-buten-1-yl]amino]-3-pyridinyl]-, (αS)-
Systematic Name English
AUR102
Code English
tacaciclib [INN]
Common Name English
AUR-102
Code English
Code System Code Type Description
FDA UNII
D3G4JKK1MA
Created by admin on Fri Dec 15 19:16:17 GMT 2023 , Edited by admin on Fri Dec 15 19:16:17 GMT 2023
PRIMARY
CAS
2768774-66-7
Created by admin on Fri Dec 15 19:16:17 GMT 2023 , Edited by admin on Fri Dec 15 19:16:17 GMT 2023
PRIMARY
INN
12755
Created by admin on Fri Dec 15 19:16:17 GMT 2023 , Edited by admin on Fri Dec 15 19:16:17 GMT 2023
PRIMARY
PUBCHEM
164533260
Created by admin on Fri Dec 15 19:16:17 GMT 2023 , Edited by admin on Fri Dec 15 19:16:17 GMT 2023
PRIMARY
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TARGET -> INHIBITOR
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ACTIVE MOIETY