General Information of the Compound
| Compound ID |
CP0099265
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| Compound Name |
(1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C16H20N4O3
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| Molecular Weight |
316.361
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| Canonical SMILES |
Nc1ncc(-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
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| InChI |
InChI=1S/C16H20N4O3/c17-16-18-7-11(9-4-2-1-3-5-9)15(20-16)19-12-6-10(8-21)13(22)14(12)23/h1-5,7,10,12-14,21-23H,6,8H2,(H3,17,18,19,20)/t10-,12-,13-,14+/m1/s1
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| InChIKey |
GYHPDRMINATQTP-ZRJCITRHSA-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