General Information of the Compound
| Compound ID |
CP0427233
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| Compound Name |
(1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(2-carbamoyl-6-methylaminopurin-9-yl)-1-phosphonooxymethyl-bicyclo-[3.1.0]hex-2-yl] ester
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| Structure |
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| Formula |
C14H20N6O9P2
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| Molecular Weight |
478.295
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| Canonical SMILES |
CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C(N)=O
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| InChI |
InChI=1S/C14H20N6O9P2/c1-16-11-9-13(19-12(18-11)10(15)21)20(5-17-9)7-2-8(29-31(25,26)27)14(3-6(7)14)4-28-30(22,23)24/h5-8H,2-4H2,1H3,(H2,15,21)(H,16,18,19)(H2,22,23,24)(H2,25,26,27)/t6-,7+,8+,14+/m1/s1
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| InChIKey |
STZXCBVAQATUIT-WUUFAPOGSA-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