General Information of the Compound
| Compound ID |
CP0500724
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| Compound Name |
4-(4-(pyrrolidin-1-yl)benzylidene)-3-(4-chlorophenyl)isoxazol-5(4H)-one
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| Structure |
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| Formula |
C20H17ClN2O2
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| Molecular Weight |
352.821
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| Canonical SMILES |
Clc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1
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| InChI |
InChI=1S/C20H17ClN2O2/c21-16-7-5-15(6-8-16)19-18(20(24)25-22-19)13-14-3-9-17(10-4-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2/b18-13-
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| InChIKey |
NAEJQBPRDTYBFI-AQTBWJFISA-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