VSG

7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Created:	2012-05-28
Last modified:	2013-05-01

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1 entries where VSG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	22

2D diagram of VSG

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Chemical Component Summary
Name	7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Formula	C₂₄ H₂₅ N₅ O
Molecular Weight	399.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1ccccc1)c2ccc(cc2)c4cn(c3ncnc(N)c34)C5CCN(C)CC5
SMILES	CACTVS	3.370	CN1CCC(CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
SMILES	OpenEye OEToolkits	1.7.6	CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5
Canonical SMILES	CACTVS	3.370	CN1CCC(CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5
InChI	InChI	1.03	InChI=1S/C24H25N5O/c1-28-13-11-18(12-14-28)29-15-21(22-23(25)26-16-27-24(22)29)17-7-9-20(10-8-17)30-19-5-3-2-4-6-19/h2-10,15-16,18H,11-14H2,1H3,(H2,25,26,27)
InChIKey	InChI	1.03	BECDNGLTIXKWON-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71305032

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