General Information of the Compound
| Compound ID |
CP0394415
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| Compound Name |
5-bromouridine-5'-uridylic acid (1,1-dichloro-1-phosphonomethyl-1-phosphonyl)anhydride
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| Structure |
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| Formula |
C10H14BrCl2N2O14P3
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| Molecular Weight |
629.954
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1cc(Br)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C10H14BrCl2N2O14P3/c11-3-1-15(9(19)14-7(3)18)8-6(17)5(16)4(28-8)2-27-32(25,26)29-31(23,24)10(12,13)30(20,21)22/h1,4-6,8,16-17H,2H2,(H,23,24)(H,25,26)(H,14,18,19)(H2,20,21,22)/t4-,5-,6-,8-/m1/s1
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| InChIKey |
KMOKHPPESJJVPB-UAKXSSHOSA-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: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6