General Information of the Compound
| Compound ID |
CP0272491
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| Compound Name |
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methylpyridin-4-yl)amino]-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
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| Structure |
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| Formula |
C25H26N6O3S
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| Molecular Weight |
490.589
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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)ccn1
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| InChI |
InChI=1S/C25H26N6O3S/c1-14-9-17(7-8-26-14)28-25-27-11-18(24-30-20(13-35-24)15-5-3-2-4-6-15)23(31-25)29-19-10-16(12-32)21(33)22(19)34/h2-9,11,13,16,19,21-22,32-34H,10,12H2,1H3,(H2,26,27,28,29,31)/t16-,19-,21-,22+/m1/s1
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| InChIKey |
UTAVZGFTYULZRM-OJWCNPDFSA-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