General Information of the Compound
| Compound ID |
CP0639555
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(8-oxo-7H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]phosphono hydrogen phosphate
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| Structure |
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| Formula |
C10H15N4O14P3
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| Molecular Weight |
508.166
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| Canonical SMILES |
O=c1[nH]c2cncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C10H15N4O14P3/c15-6-5(2-25-30(21,22)28-31(23,24)27-29(18,19)20)26-9(7(6)16)14-8-4(13-10(14)17)1-11-3-12-8/h1,3,5-7,9,15-16H,2H2,(H,13,17)(H,21,22)(H,23,24)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
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| InChIKey |
HFWMSMHRYHEPNX-JXOAFFINSA-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: PT04758, P2X purinoceptor 1
Protein ID: PT04148, P2X purinoceptor 2
Protein ID: PT03393, P2X purinoceptor 3
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7