General Information of the Compound
| Compound ID |
CP0918631
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| Compound Name |
Diphosphoric Acid 1-beta-(2-Cyanoethyl)Ester 2-(Uridine-5'-yl)ester, di ammonium Salt
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| Structure |
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| Formula |
C12H20N4O12P2
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| Molecular Weight |
474.256
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| Canonical SMILES |
N.N#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C12H17N3O12P2.H3N/c13-3-1-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)15-4-2-8(16)14-12(15)19;/h2,4,7,9-11,17-18H,1,5-6H2,(H,20,21)(H,22,23)(H,14,16,19);1H3/t7-,9-,10-,11-;/m1./s1
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| InChIKey |
RCYDVSRZDMGZOO-VYFIMUGFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05434, P2Y purinoceptor 14
Protein ID: PT02796, P2Y purinoceptor 6