General Information of the Compound
| Compound ID |
CP0371752
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| Compound Name |
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-(3-hydroxy-3-phenylprop-1-ynyl)-9H-purin-6-yl)-3-(4-methoxyphenyl)urea
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| Structure |
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| Formula |
C29H29N7O7
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| Molecular Weight |
587.593
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1
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| InChI |
InChI=1S/C29H29N7O7/c1-3-30-27(40)24-22(38)23(39)28(43-24)36-15-31-21-25(35-29(41)32-17-9-11-18(42-2)12-10-17)33-20(34-26(21)36)14-13-19(37)16-7-5-4-6-8-16/h4-12,15,19,22-24,28,37-39H,3H2,1-2H3,(H,30,40)(H2,32,33,34,35,41)/t19?,22-,23+,24-,28+/m0/s1
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| InChIKey |
YACKIGOZMDPOIL-CMOPHAJESA-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