General Information of the Compound
| Compound ID |
CP0498504
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| Compound Name |
CHEMBL2093074
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| Formula |
C10H16N5O12P3S
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| Molecular Weight |
523.25
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| Canonical SMILES |
Nc1ncnc2n(cnc12)C1O[C@H](CO[P@](O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10?,30+/m1/s1
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| InChIKey |
ROYJKVPBJVNHCQ-QZKUPEQQSA-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