General Information of the Compound
| Compound ID |
CP0071919
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C18H22N6O3
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| Molecular Weight |
370.413
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| Canonical SMILES |
Cn1c(nc2ccccc12)-c1cnc(N)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C18H22N6O3/c1-24-13-5-3-2-4-11(13)22-17(24)10-7-20-18(19)23-16(10)21-12-6-9(8-25)14(26)15(12)27/h2-5,7,9,12,14-15,25-27H,6,8H2,1H3,(H3,19,20,21,23)/t9-,12-,14-,15+/m1/s1
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| InChIKey |
SXHSKGFMSMGYDS-VHIFSBLJSA-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