General Information of the Compound
| Compound ID |
CP0901964
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| Compound Name |
Diphosphoric Acid 1-beta-(3-Chlorophenyl)Ester 2-(Uridine-5'-yl)ester, di ammonium Salt
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| Structure |
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| Formula |
C15H20ClN3O12P2
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| Molecular Weight |
531.735
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| Canonical SMILES |
N.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3cccc(Cl)c3)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C15H17ClN2O12P2.H3N/c16-8-2-1-3-9(6-8)29-32(25,26)30-31(23,24)27-7-10-12(20)13(21)14(28-10)18-5-4-11(19)17-15(18)22;/h1-6,10,12-14,20-21H,7H2,(H,23,24)(H,25,26)(H,17,19,22);1H3/t10-,12-,13-,14-;/m1./s1
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| InChIKey |
ZLLHGJGRCMMBKG-VNQMUNOFSA-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