General Information of the Compound
| Compound ID |
CP0425341
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| Compound Name |
1-(3,4-dimethoxyphenethyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)urea
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| Structure |
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| Formula |
C23H29N7O7
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| Molecular Weight |
515.527
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccc(OC)c(OC)c3)ncnc12
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| InChI |
InChI=1S/C23H29N7O7/c1-4-24-21(33)18-16(31)17(32)22(37-18)30-11-28-15-19(26-10-27-20(15)30)29-23(34)25-8-7-12-5-6-13(35-2)14(9-12)36-3/h5-6,9-11,16-18,22,31-32H,4,7-8H2,1-3H3,(H,24,33)(H2,25,26,27,29,34)/t16-,17+,18-,22+/m0/s1
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| InChIKey |
RKHFTDCSAUSEQQ-RQXXJAGISA-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