General Information of the Compound
| Compound ID |
CP0437774
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| Compound Name |
3-(4-benzylpiperazine-1-carbonyl)-6-bromochromen-2-one
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| Structure |
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| Formula |
C21H19BrN2O3
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| Molecular Weight |
427.298
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| Canonical SMILES |
Brc1ccc2oc(=O)c(cc2c1)C(=O)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H19BrN2O3/c22-17-6-7-19-16(12-17)13-18(21(26)27-19)20(25)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2
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| InChIKey |
YLPNMGQEJSGGBT-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