General Information of the Compound
| Compound ID |
CP0415527
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| Compound Name |
2-Thio-uridine-5'-pentaphosphate
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| Structure |
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| Formula |
C9H17N2O20P5S
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| Molecular Weight |
660.166
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S
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| InChI |
InChI=1S/C9H17N2O20P5S/c12-5-1-2-11(9(37)10-5)8-7(14)6(13)4(27-8)3-26-33(18,19)29-35(22,23)31-36(24,25)30-34(20,21)28-32(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,10,12,37)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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| InChIKey |
HBRMVVAUYWZZGM-XVFCMESISA-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