General Information of the Compound
| Compound ID |
CP0068438
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C17H19N5O3S
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| Molecular Weight |
373.438
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| Canonical SMILES |
Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
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| InChI |
InChI=1S/C17H19N5O3S/c18-17-19-6-9(16-21-10-3-1-2-4-12(10)26-16)15(22-17)20-11-5-8(7-23)13(24)14(11)25/h1-4,6,8,11,13-14,23-25H,5,7H2,(H3,18,19,20,22)/t8-,11-,13-,14+/m1/s1
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| InChIKey |
AZXCIBRWWRNGNP-GFCLTOETSA-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