General Information of the Compound
| Compound ID |
CP0419133
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| Compound Name |
4-Thio-UDP
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| Structure |
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| Formula |
C9H14N2O11P2S
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| Molecular Weight |
420.229
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=S)[nH]c1=O
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| InChI |
InChI=1S/C9H14N2O11P2S/c12-6-4(3-20-24(18,19)22-23(15,16)17)21-8(7(6)13)11-2-1-5(25)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,10,14,25)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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| InChIKey |
OGVPOARJPKSLBM-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: PT05434, P2Y purinoceptor 14
Protein ID: PT02796, P2Y purinoceptor 6