General Information of the Compound
| Compound ID |
CP0890136
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| Compound Name |
P1-Uridine 5'-P3-Cyclohexyltriphosphate Triethylammonium salt
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| Structure |
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| Formula |
C21H40N3O15P3
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| Molecular Weight |
667.479
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| Canonical SMILES |
CCN(CC)CC.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC3CCCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C15H25N2O15P3.C6H15N/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(29-14)8-28-33(22,23)31-35(26,27)32-34(24,25)30-9-4-2-1-3-5-9;1-4-7(5-2)6-3/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,26,27)(H,16,18,21);4-6H2,1-3H3/t10-,12-,13-,14-;/m1./s1
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| InChIKey |
LERJSVBIVXGYJA-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: PT04714, P2Y purinoceptor 2
Protein ID: PT02796, P2Y purinoceptor 6