General Information of the Compound
| Compound ID |
CP0569505
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| Compound Name |
[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Formula |
C21H26ClN5O9P2
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| Molecular Weight |
589.866
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| Canonical SMILES |
CN([C@H]1CCc2ccccc12)c1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H26ClN5O9P2/c1-26(14-7-6-11-4-2-3-5-12(11)14)18-13-8-23-27(19(13)25-21(22)24-18)20-17(29)16(28)15(36-20)9-35-38(33,34)10-37(30,31)32/h2-5,8,14-17,20,28-29H,6-7,9-10H2,1H3,(H,33,34)(H2,30,31,32)/t14-,15+,16+,17+,20+/m0/s1
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| InChIKey |
JITONTGSEKFAFI-VMNRDUPSSA-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