General Information of the Compound
| Compound ID |
CP0095742
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-[(2,6-dimethylpyridin-4-yl)amino]-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C26H28N6O3S
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| Molecular Weight |
504.616
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| Canonical SMILES |
Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1
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| InChI |
InChI=1S/C26H28N6O3S/c1-14-8-18(9-15(2)28-14)29-26-27-11-19(25-31-21(13-36-25)16-6-4-3-5-7-16)24(32-26)30-20-10-17(12-33)22(34)23(20)35/h3-9,11,13,17,20,22-23,33-35H,10,12H2,1-2H3,(H2,27,28,29,30,32)/t17-,20-,22-,23+/m1/s1
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| InChIKey |
ZZAHNCINSQBRFG-TYFWRSTJSA-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