General Information of the Compound
| Compound ID |
CP0184908
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| Compound Name |
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-propan-2-yloxypyridin-4-yl)amino]-5-quinolin-2-ylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
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| Structure |
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| Formula |
C27H30N6O4
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| Molecular Weight |
502.575
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| Canonical SMILES |
CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1
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| InChI |
InChI=1S/C27H30N6O4/c1-15(2)37-23-12-18(9-10-28-23)30-27-29-13-19(21-8-7-16-5-3-4-6-20(16)31-21)26(33-27)32-22-11-17(14-34)24(35)25(22)36/h3-10,12-13,15,17,22,24-25,34-36H,11,14H2,1-2H3,(H2,28,29,30,32,33)/t17-,22-,24-,25+/m1/s1
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| InChIKey |
LXFJUSIWCMBIBJ-XTUVKROYSA-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