General Information of the Compound
| Compound ID |
CP0071923
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| Compound Name |
(1R,2S,3R,5R)-3-[(2-amino-5-quinolin-2-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C19H21N5O3
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| Molecular Weight |
367.409
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| Canonical SMILES |
Nc1ncc(c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C19H21N5O3/c20-19-21-8-12(14-6-5-10-3-1-2-4-13(10)22-14)18(24-19)23-15-7-11(9-25)16(26)17(15)27/h1-6,8,11,15-17,25-27H,7,9H2,(H3,20,21,23,24)/t11-,15-,16-,17+/m1/s1
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| InChIKey |
ZAIQAGRYFBMLQE-AHBIMHKDSA-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