General Information of the Compound
| Compound ID |
CP0451133
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| Compound Name |
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(furan-3-yl)pyridin-4-yl]quinolin-4-amine
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| Formula |
C25H24N6O
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| Molecular Weight |
424.508
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| Canonical SMILES |
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccoc3)ccnc2c1
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| InChI |
InChI=1S/C25H24N6O/c1-30(2)10-11-31-16-20(15-28-31)18-3-4-22-23(6-9-27-25(22)13-18)29-21-5-8-26-24(14-21)19-7-12-32-17-19/h3-9,12-17H,10-11H2,1-2H3,(H,26,27,29)
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| InChIKey |
ULMJOBGKUKPBKO-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