General Information of the Compound
| Compound ID |
CP0091669
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-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 |
C16H18N6O3S
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| Molecular Weight |
374.426
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| Canonical SMILES |
Nc1ncc(-c2nc3ccncc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
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| InChI |
InChI=1S/C16H18N6O3S/c17-16-19-4-8(15-21-9-1-2-18-5-11(9)26-15)14(22-16)20-10-3-7(6-23)12(24)13(10)25/h1-2,4-5,7,10,12-13,23-25H,3,6H2,(H3,17,19,20,22)/t7-,10-,12-,13+/m1/s1
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| InChIKey |
YUJKLNZYJCYDJM-SDTWEEQHSA-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