Y70

S-Pomalidomide

Created:	2013-12-05
Last modified:	2014-09-05

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11 entries where Y70 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	6

2D diagram of Y70

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Chemical Component Summary
Name	S-Pomalidomide
Systematic Name (OpenEye OEToolkits)	4-azanyl-2-[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
Formula	C₁₃ H₁₁ N₃ O₄
Molecular Weight	273.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N
SMILES	CACTVS	3.385	Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O
Canonical SMILES	CACTVS	3.385	Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
InChI	InChI	1.03	InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1
InChIKey	InChI	1.03	UVSMNLNDYGZFPF-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	9965330
ChEMBL	CHEMBL2093113

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