General Information of the Compound
| Compound ID |
CP0930677
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| Compound Name |
triPhosphoric acid-[4-(6-amino-2-methylsulfanyl-purin-9-yl)-2,3-dihydroxy-bicyclo[3.1.0]hex-1-ylmethyl] ester
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| Structure |
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| Formula |
C13H20N5O12P3S
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| Molecular Weight |
563.315
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| Canonical SMILES |
CSc1nc(N)c2ncn(C3C(O)C(O)[C@@]4(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]34)c2n1
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| InChI |
InChI=1S/C13H20N5O12P3S/c1-34-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t5-,7?,8?,9?,13+/m0/s1
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| InChIKey |
LTSBVSVIZJUZKA-QOUWVLLXSA-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