General Information of the Compound
| Compound ID |
CP0486372
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| Compound Name |
N-[3-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]quinolin-8-yl]oxypropyl]-3-cyanobenzamide
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| Structure |
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| Formula |
C31H25ClN4O3
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| Molecular Weight |
537.019
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(CNc2ccc3cccc(OCCCNC(=O)c4cccc(c4)C#N)c3n2)o1
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| InChI |
InChI=1S/C31H25ClN4O3/c32-25-11-8-22(9-12-25)27-14-13-26(39-27)20-35-29-15-10-23-5-2-7-28(30(23)36-29)38-17-3-16-34-31(37)24-6-1-4-21(18-24)19-33/h1-2,4-15,18H,3,16-17,20H2,(H,34,37)(H,35,36)
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| InChIKey |
OMAIJQDFGBYSFD-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