General Information of the Compound
| Compound ID |
CP0067186
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| Compound Name |
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxypyridin-4-yl)amino]-5-quinolin-2-ylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
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| Structure |
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| Formula |
C25H26N6O4
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| Molecular Weight |
474.521
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| Canonical SMILES |
COc1cc(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/C25H26N6O4/c1-35-21-11-16(8-9-26-21)28-25-27-12-17(19-7-6-14-4-2-3-5-18(14)29-19)24(31-25)30-20-10-15(13-32)22(33)23(20)34/h2-9,11-12,15,20,22-23,32-34H,10,13H2,1H3,(H2,26,27,28,30,31)/t15-,20-,22-,23+/m1/s1
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| InChIKey |
YKDGQNXRKZSZOG-ICYYRSKXSA-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