General Information of the Compound
| Compound ID |
CP0506995
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| Compound Name |
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
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| Structure |
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| Formula |
C28H25N3O3
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| Molecular Weight |
451.526
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| Canonical SMILES |
O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(nc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C28H25N3O3/c32-28(23-17-25(21-6-2-1-3-7-21)29-24-9-5-4-8-22(23)24)31-14-12-30(13-15-31)18-20-10-11-26-27(16-20)34-19-33-26/h1-11,16-17H,12-15,18-19H2
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| InChIKey |
JHHIXGLXXYXLMO-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