General Information of the Compound
| Compound ID |
CP0476000
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| Compound Name |
[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C23H20N4O2
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| Molecular Weight |
384.439
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| Canonical SMILES |
O=C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCCC1
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| InChI |
InChI=1S/C23H20N4O2/c28-23(26-12-4-5-13-26)29-19-8-9-21-20(10-11-24-22(21)14-19)17-15-25-27(16-17)18-6-2-1-3-7-18/h1-3,6-11,14-16H,4-5,12-13H2
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| InChIKey |
OJOSPYHWZWYFES-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