General Information of the Compound
| Compound ID |
CP0553093
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| Compound Name |
[[(2R,3R,4S,5R)-5-[6-chloro-4-[[(1S)-1-phenylethyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C19H23ClFN5O8P2
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| Molecular Weight |
565.819
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| Canonical SMILES |
C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F)c1ccccc1
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| InChI |
InChI=1S/C19H23ClFN5O8P2/c1-10(11-5-3-2-4-6-11)23-16-12-7-22-26(17(12)25-19(20)24-16)18-14(21)15(27)13(34-18)8-33-36(31,32)9-35(28,29)30/h2-7,10,13-15,18,27H,8-9H2,1H3,(H,31,32)(H,23,24,25)(H2,28,29,30)/t10-,13+,14-,15+,18+/m0/s1
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| InChIKey |
QSVSVGVDQVCPQR-KSMPBXBHSA-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