General Information of the Compound
| Compound ID |
CP0532341
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| Compound Name |
5-(4-chlorophenyl)-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
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| Structure |
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| Formula |
C19H13ClN2O2
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| Molecular Weight |
336.778
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(CC#N)c1
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| InChI |
InChI=1S/C19H13ClN2O2/c20-15-6-4-14(5-7-15)17-8-9-18(24-17)19(23)22-16-3-1-2-13(12-16)10-11-21/h1-9,12H,10H2,(H,22,23)
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| InChIKey |
UMENCAWCXPNLLJ-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