General Information of the Compound
| Compound ID |
CP0053205
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-[(2,6-dimethylpyridin-4-yl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C23H25N7O3S
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| Molecular Weight |
479.566
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| Canonical SMILES |
Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1
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| InChI |
InChI=1S/C23H25N7O3S/c1-11-5-14(6-12(2)26-11)27-23-25-8-15(22-29-16-3-4-24-9-18(16)34-22)21(30-23)28-17-7-13(10-31)19(32)20(17)33/h3-6,8-9,13,17,19-20,31-33H,7,10H2,1-2H3,(H2,25,26,27,28,30)/t13-,17-,19-,20+/m1/s1
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| InChIKey |
QZVWVAJOMQEGKF-HSGBFHSBSA-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