General Information of the Compound
| Compound ID |
CP0532006
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| Compound Name |
propan-2-yl (2S)-2-[[[(1R,3S,4S,5R)-3-(6-aminopurin-9-yl)-2,2-difluoro-4,5-dihydroxycyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate
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| Structure |
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| Formula |
C23H29F2N6O7P
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| Molecular Weight |
570.49
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| Canonical SMILES |
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2cnc3c(N)ncnc23)C1(F)F)Oc1ccccc1
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| InChI |
InChI=1S/C23H29F2N6O7P/c1-12(2)37-22(34)13(3)30-39(35,38-14-7-5-4-6-8-14)36-9-15-17(32)18(33)19(23(15,24)25)31-11-29-16-20(26)27-10-28-21(16)31/h4-8,10-13,15,17-19,32-33H,9H2,1-3H3,(H,30,35)(H2,26,27,28)/t13-,15+,17+,18+,19-,39-/m0/s1
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| InChIKey |
ZDCHYGVYUFSBFU-RUJHRXAISA-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