General Information of the Compound
| Compound ID |
CP0724473
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| Compound Name |
5-(benzo[d]thiazol-2-yl)-6-(((3R,5R)-5-hydroxypiperidin-3-yl)amino)-2-morpholinopyrimidin-4(3H)-one
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| Structure |
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| Formula |
C20H24N6O3S
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| Molecular Weight |
428.518
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| Canonical SMILES |
O=c1[nH]c(N2CCOCC2)nc(N[C@H]2CNC[C@H](O)C2)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C20H24N6O3S/c27-13-9-12(10-21-11-13)22-17-16(19-23-14-3-1-2-4-15(14)30-19)18(28)25-20(24-17)26-5-7-29-8-6-26/h1-4,12-13,21,27H,5-11H2,(H2,22,24,25,28)/t12-,13-/m1/s1
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| InChIKey |
QWMFPMYGVYZWFU-CHWSQXEVSA-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