General Information of the Compound
| Compound ID |
CP0919219
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| Compound Name |
triPhosphoric acid-[2,3-dihydroxy-4-(6-methylamino-2-chloro-purin-9-yl)-bicyclo[3.1.0]hex-1-ylmethyl] ester
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| Structure |
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| Formula |
C13H19ClN5O12P3
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| Molecular Weight |
565.693
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| Canonical SMILES |
CNc1nc(Cl)nc2c1ncn2C1C(O)C(O)[C@@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]12
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| InChI |
InChI=1S/C13H19ClN5O12P3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,9(21)8(7)20)3-29-33(25,26)31-34(27,28)30-32(22,23)24/h4-5,7-9,20-21H,2-3H2,1H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24)/t5-,7?,8?,9?,13+/m0/s1
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| InChIKey |
YGFPUJVRQHFEHN-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