General Information of the Compound
| Compound ID |
CP0493723
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| Compound Name |
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]methanone
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| Structure |
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| Formula |
C24H23N3O4
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| Molecular Weight |
417.465
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| Canonical SMILES |
O=C(C1CCN(CC1)C(=O)c1ccc(cc1)-n1cccn1)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C24H23N3O4/c28-23(19-4-7-21-22(16-19)31-15-14-30-21)17-8-12-26(13-9-17)24(29)18-2-5-20(6-3-18)27-11-1-10-25-27/h1-7,10-11,16-17H,8-9,12-15H2
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| InChIKey |
COYZZJWDMBACOZ-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