General Information of the Compound
| Compound ID |
CP0068439
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| Compound Name |
(1R,2S,3R,5R)-3-[(2-amino-5-pyridin-2-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C15H19N5O3
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| Molecular Weight |
317.349
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| Canonical SMILES |
Nc1ncc(c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1)-c1ccccn1
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| InChI |
InChI=1S/C15H19N5O3/c16-15-18-6-9(10-3-1-2-4-17-10)14(20-15)19-11-5-8(7-21)12(22)13(11)23/h1-4,6,8,11-13,21-23H,5,7H2,(H3,16,18,19,20)/t8-,11-,12-,13+/m1/s1
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| InChIKey |
RBYQNKWUJJSDME-STRQVWJDSA-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