General Information of the Compound
| Compound ID |
CP0462944
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| Compound Name |
2-Ethylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5'-monophosphate
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| Structure |
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| Formula |
C11H17N2O8PS
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| Molecular Weight |
368.304
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| Canonical SMILES |
CCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C11H17N2O8PS/c1-2-23-11-12-7(14)3-4-13(11)10-9(16)8(15)6(21-10)5-20-22(17,18)19/h3-4,6,8-10,15-16H,2,5H2,1H3,(H2,17,18,19)/t6-,8-,9-,10-/m1/s1
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| InChIKey |
HAIWBDSVRZGGKI-PEBGCTIMSA-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