General Information of the Compound
| Compound ID |
CP0479058
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| Compound Name |
3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide
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| Structure |
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| Formula |
C27H26ClN3O2
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| Molecular Weight |
459.977
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C27H26ClN3O2/c1-16-9-17(2)11-20(10-16)23-15-31-25-14-24(28)21(13-22(25)26(23)33-8-4-7-29)18-5-3-6-19(12-18)27(30)32/h3,5-6,9-15H,4,7-8,29H2,1-2H3,(H2,30,32)
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| InChIKey |
UDERHFYYVOINTD-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