General Information of the Compound
| Compound ID |
CP0560796
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| Compound Name |
[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C19H23ClFN5O9P2
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| Molecular Weight |
581.818
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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]1O)c1cccc(F)c1
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| InChI |
InChI=1S/C19H23ClFN5O9P2/c1-9(10-3-2-4-11(21)5-10)23-16-12-6-22-26(17(12)25-19(20)24-16)18-15(28)14(27)13(35-18)7-34-37(32,33)8-36(29,30)31/h2-6,9,13-15,18,27-28H,7-8H2,1H3,(H,32,33)(H,23,24,25)(H2,29,30,31)/t9-,13+,14+,15+,18+/m0/s1
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| InChIKey |
RCHFATTWTUMJQT-ACFNIHOCSA-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