General Information of the Compound
| Compound ID |
CP0068922
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| Compound Name |
(1R,2S,3R,5R)-3-[[5-(1,3-benzothiazol-2-yl)-2-[(2-methylpyridin-4-yl)amino]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C23H24N6O3S
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| Molecular Weight |
464.551
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| Canonical SMILES |
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1
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| InChI |
InChI=1S/C23H24N6O3S/c1-12-8-14(6-7-24-12)26-23-25-10-15(22-28-16-4-2-3-5-18(16)33-22)21(29-23)27-17-9-13(11-30)19(31)20(17)32/h2-8,10,13,17,19-20,30-32H,9,11H2,1H3,(H2,24,25,26,27,29)/t13-,17-,19-,20+/m1/s1
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| InChIKey |
SZKNNBPYGFYJDN-HSGBFHSBSA-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