General Information of the Compound
| Compound ID |
CP0494620
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| Compound Name |
N-[3-[2-[[5-(3-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 |
Clc1cccc(c1)-c1ccc(CNc2ccc3cccc(OCCCNC(=O)c4cccc(c4)C#N)c3n2)o1
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| InChI |
InChI=1S/C31H25ClN4O3/c32-25-9-2-7-23(18-25)27-13-12-26(39-27)20-35-29-14-11-22-6-3-10-28(30(22)36-29)38-16-4-15-34-31(37)24-8-1-5-21(17-24)19-33/h1-3,5-14,17-18H,4,15-16,20H2,(H,34,37)(H,35,36)
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| InChIKey |
ZIBVEEKTPIMGAC-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