General Information of the Compound
| Compound ID |
CP0772723
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| Compound Name |
2-(Azetidin-1-yl)-5-(benzo[d]thiazol-2-yl)-6-(((1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)amino)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C20H23N5O4S
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| Molecular Weight |
429.502
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| Canonical SMILES |
O=c1[nH]c(N2CCC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C20H23N5O4S/c26-9-10-8-12(16(28)15(10)27)21-17-14(18(29)24-20(23-17)25-6-3-7-25)19-22-11-4-1-2-5-13(11)30-19/h1-2,4-5,10,12,15-16,26-28H,3,6-9H2,(H2,21,23,24,29)/t10-,12-,15-,16+/m1/s1
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| InChIKey |
XUNKEBDMBAKXNG-NODPJGRNSA-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