General Information of the Compound
| Compound ID |
CP0532462
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| Compound Name |
4-[4-(3-imidazol-1-ylpropylamino)-3-(1,3,4-oxadiazol-2-yl)quinolin-6-yl]phenol
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| Structure |
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| Formula |
C23H20N6O2
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| Molecular Weight |
412.453
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| Canonical SMILES |
Oc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
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| InChI |
InChI=1S/C23H20N6O2/c30-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-26-21)23-28-27-15-31-23)25-8-1-10-29-11-9-24-14-29/h2-7,9,11-15,30H,1,8,10H2,(H,25,26)
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| InChIKey |
QPDSYUCCOUVJKY-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