General Information of the Compound
| Compound ID |
CP0529670
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| Compound Name |
2'-trifluoroacetylamino-2'-deoxy-2-thiouridine 5'-triphosphate
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| Structure |
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| Formula |
C14H24N3O14P3S
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| Molecular Weight |
583.342
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| Canonical SMILES |
CC(C)(C)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=S
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| InChI |
InChI=1S/C14H24N3O14P3S/c1-14(2,3)12(20)16-9-10(19)7(29-11(9)17-5-4-8(18)15-13(17)35)6-28-33(24,25)31-34(26,27)30-32(21,22)23/h4-5,7,9-11,19H,6H2,1-3H3,(H,16,20)(H,24,25)(H,26,27)(H,15,18,35)(H2,21,22,23)/t7-,9-,10-,11-/m1/s1
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| InChIKey |
YDDXXQBOCIZVFB-QCNRFFRDSA-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