General Information of the Compound
| Compound ID |
CP0549748
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| Compound Name |
5-[6-[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]-N,N-dimethylpyridin-2-amine
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| Structure |
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| Formula |
C24H27FN6
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| Molecular Weight |
418.52
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| Canonical SMILES |
CN(C)c1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
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| InChI |
InChI=1S/C24H27FN6/c1-29(2)23-7-4-18(16-26-23)21-6-8-24(28-27-21)30-12-10-20(11-13-30)31-14-9-17-3-5-19(25)15-22(17)31/h3-8,15-16,20H,9-14H2,1-2H3
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| InChIKey |
XAPVMFDRNUGWRP-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