General Information of the Compound
| Compound ID |
CP0128704
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| Compound Name |
2-(2-(1-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)piperidin-4-yl)ethoxy)-5-fluoropyrimidin-4-amine
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| Structure |
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| Formula |
C23H23FN6OS
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| Molecular Weight |
450.543
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| Canonical SMILES |
Nc1nc(OCCC2CCN(CC2)c2cc(ncn2)-c2cc3ccccc3s2)ncc1F
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| InChI |
InChI=1S/C23H23FN6OS/c24-17-13-26-23(29-22(17)25)31-10-7-15-5-8-30(9-6-15)21-12-18(27-14-28-21)20-11-16-3-1-2-4-19(16)32-20/h1-4,11-15H,5-10H2,(H2,25,26,29)
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| InChIKey |
KZTOEDJNXONIBZ-UHFFFAOYSA-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