A1A70

[(3R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-3-yl]methanol

Created:	2024-09-18
Last modified:	2025-06-11

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1 entries where A1A70 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	10

2D diagram of A1A70

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Chemical Component Summary
Name	[(3R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-3-yl]methanol
Systematic Name (OpenEye OEToolkits)	[(3~{R})-4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-3-yl]methanol
Formula	C₁₁ H₁₄ N₄ O₂
Molecular Weight	234.254
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	OCC1COCCN1c1ncnc2[NH]ccc12
SMILES	CACTVS	3.385	OC[CH]1COCCN1c2ncnc3[nH]ccc23
SMILES	OpenEye OEToolkits	3.1.0.0	c1c[nH]c2c1c(ncn2)N3CCOCC3CO
Canonical SMILES	CACTVS	3.385	OC[C@@H]1COCCN1c2ncnc3[nH]ccc23
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1c[nH]c2c1c(ncn2)N3CCOC[C@H]3CO
InChI	InChI	1.06	InChI=1S/C11H14N4O2/c16-5-8-6-17-4-3-15(8)11-9-1-2-12-10(9)13-7-14-11/h1-2,7-8,16H,3-6H2,(H,12,13,14)/t8-/m1/s1
InChIKey	InChI	1.06	ANYULURWNRNDKY-MRVPVSSYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.