XSG

7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Created:	2021-01-08
Last modified:	2021-04-21

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1 entries where XSG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	2
Bond Count	57
Aromatic Bond Count	22

2D diagram of XSG

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Chemical Component Summary
Name	7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Systematic Name (OpenEye OEToolkits)	7-[(1~{R})-3-[[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]amino]-1-phenyl-propyl]-3~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula	C₂₃ H₂₄ N₆
Molecular Weight	384.477
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(NC2c1ccccc1CC2)CC(c3c4c(nc(N)c3)nnn4)c5ccccc5
SMILES	CACTVS	3.385	Nc1cc([CH](CCN[CH]2CCc3ccccc23)c4ccccc4)c5nn[nH]c5n1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(CCNC2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N
Canonical SMILES	CACTVS	3.385	Nc1cc([C@H](CCN[C@@H]2CCc3ccccc23)c4ccccc4)c5nn[nH]c5n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@@H](CCN[C@@H]2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N
InChI	InChI	1.03	InChI=1S/C23H24N6/c24-21-14-19(22-23(26-21)28-29-27-22)17(15-6-2-1-3-7-15)12-13-25-20-11-10-16-8-4-5-9-18(16)20/h1-9,14,17,20,25H,10-13H2,(H3,24,26,27,28,29)/t17-,20-/m1/s1
InChIKey	InChI	1.03	DVUSPTTWBXHBNF-YLJYHZDGSA-N

Related Resource References

Resource Name	Reference
PubChem	155099371

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