General Information of the Compound
| Compound ID |
CP0099273
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-amino-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C19H21N5O3S
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| Molecular Weight |
399.476
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| Canonical SMILES |
Nc1ncc(-c2nc(cs2)-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
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| InChI |
InChI=1S/C19H21N5O3S/c20-19-21-7-12(18-23-14(9-28-18)10-4-2-1-3-5-10)17(24-19)22-13-6-11(8-25)15(26)16(13)27/h1-5,7,9,11,13,15-16,25-27H,6,8H2,(H3,20,21,22,24)/t11-,13-,15-,16+/m1/s1
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| InChIKey |
JDFVOZWPDXFWCW-CUBALJKWSA-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