General Information of the Compound
| Compound ID |
CP0402061
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| Compound Name |
7-[4-(3-Chloro-4-methyl-phenyl)-piperazin-1-ylmethyl]-chromen-2-one
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| Structure |
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| Formula |
C21H21ClN2O2
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| Molecular Weight |
368.864
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| Canonical SMILES |
Cc1ccc(cc1Cl)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
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| InChI |
InChI=1S/C21H21ClN2O2/c1-15-2-6-18(13-19(15)22)24-10-8-23(9-11-24)14-16-3-4-17-5-7-21(25)26-20(17)12-16/h2-7,12-13H,8-11,14H2,1H3
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| InChIKey |
RBQPTMARORFSKO-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