General Information of the Compound
| Compound ID |
CP0466405
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| Compound Name |
[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonic acid
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| Structure |
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| Formula |
C18H27ClN5O8P
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| Molecular Weight |
507.868
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| Canonical SMILES |
CC(CO)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NC3CCCC3)nc(Cl)nc12)P(O)(O)=O
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| InChI |
InChI=1S/C18H27ClN5O8P/c1-18(8-25,33(28,29)30)31-7-11-12(26)13(27)16(32-11)24-15-10(6-20-24)14(22-17(19)23-15)21-9-4-2-3-5-9/h6,9,11-13,16,25-27H,2-5,7-8H2,1H3,(H,21,22,23)(H2,28,29,30)/t11-,12-,13-,16-,18?/m1/s1
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| InChIKey |
DWPITEDBCBAYRP-BHZYSJIXSA-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