General Information of the Compound
| Compound ID |
CP0130008
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| Compound Name |
(1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C17H20N6O3
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| Molecular Weight |
356.386
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| Canonical SMILES |
Nc1ncc(-c2cnc3ccccn23)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
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| InChI |
InChI=1S/C17H20N6O3/c18-17-20-6-10(12-7-19-13-3-1-2-4-23(12)13)16(22-17)21-11-5-9(8-24)14(25)15(11)26/h1-4,6-7,9,11,14-15,24-26H,5,8H2,(H3,18,20,21,22)/t9-,11-,14-,15+/m1/s1
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| InChIKey |
MMVPIJIALAKMAL-VGKMCQHDSA-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