Molecules/1-Deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-beta-D-ribofuranuronamide
1-Deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-beta-D-ribofuranuronamide
6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
Molecular Identity
1-Deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-beta-D-ribofuranuronamide
6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
PubChem CID: 9833519
2D Structure
Properties
C40H47N11O6
Molecular Formula
777.90
Molecular Weight
g/mol
777.3711
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
221
TPSA
May have limited oral absorption
7
H-Bond Donors
12
H-Bond Acceptors
1280
Complexity
SMILES
Canonical SMILES
SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)C(=O)NCCNC(=O)NC4CCN(CC4)C5=CC=CC=N5)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)OIsomeric SMILES
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C(=O)NCCNC(=O)NC4CCN(CC4)C5=CC=CC=N5)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)OSynonyms(20)
380221-63-6UK-4320978L3OAJ1R5A6-((2,2-Diphenylethyl)amino)-9-(N-ethyl-beta-D-ribofuranosyluronamide)-N-(2-(N'-(1-(2-pyridyl)-4-piperidyl)ureido)ethyl)-9H-purine-2-carboxamidebeta-D-Ribofuranuronamide, 1-deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-1-Deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-beta-D-ribofuranuronamide1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[[2-[[[[1-(2-pyridinyl)-4-piperidinyl]amino]carbonyl]amino]ethyl]amino]carbonyl]-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide6-[(2,2-diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamide6-((2,2-diphenylethyl)amino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl)-N-(2-(((1-(pyridin-2-yl)piperidin-4-yl)carbamoyl)amino)ethyl)-9H-purine-2-carboxamideRefChem:907567UNII-8L3OAJ1R5AUK-432,097CHEMBL1096896UK4320976-(2,2-Diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Oxolan-2-Yl]-N-[2-[(1-Pyridin-2-Ylpiperidin-4-Yl)carbamoylamino]ethyl]purine-2-Carboxamide
Data from PubChem (NCBI)
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Molecular Structure
1-Deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-beta-D-ribofuranuronamide
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Drug Network
Trials and conditions connected to 1-Deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-beta-D-ribofuranuronamide
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