(N)methanocarba-UTP   Click here for help

GtoPdb Ligand ID: 1740

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 14
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 284.57
Molecular weight 493.99
XLogP -4.61
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OC1C(n2ccc(=O)[nH]c2=O)C2C(C1O)(C2)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
Isomeric SMILES OC1C(n2ccc(=O)[nH]c2=O)C2C(C1O)(C2)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)
InChI Key XWFVJTIKQWQNID-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
({[({[4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Database Links Click here for help
BindingDB Ligand 50108126
GtoPdb PubChem SID 135650724
PubChem CID 44309485
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