General Information of the Compound
| Compound ID |
CP0437821
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| Compound Name |
1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-(pyridin-4-ylamino)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H23N9O5
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| Molecular Weight |
481.473
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| Canonical SMILES |
CCNC(=O)c1cnn(c1)-c1nc(Nc2ccncc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C21H23N9O5/c1-2-23-19(34)11-7-25-30(8-11)21-27-17(26-12-3-5-22-6-4-12)14-18(28-21)29(10-24-14)20-16(33)15(32)13(9-31)35-20/h3-8,10,13,15-16,20,31-33H,2,9H2,1H3,(H,23,34)(H,22,26,27,28)/t13-,15-,16-,20-/m1/s1
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| InChIKey |
VPMKGKFXDBVXCS-KHTYJDQRSA-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