General Information of the Compound
| Compound ID |
CP0449096
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| Compound Name |
7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-chromen-2-one
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| Structure |
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| Formula |
C20H19ClN2O2
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| Molecular Weight |
354.837
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
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| InChI |
InChI=1S/C20H19ClN2O2/c21-17-4-6-18(7-5-17)23-11-9-22(10-12-23)14-15-1-2-16-3-8-20(24)25-19(16)13-15/h1-8,13H,9-12,14H2
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| InChIKey |
LVOJJZXFKVDALQ-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