General Information of the Compound
| Compound ID |
CP0336623
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| Compound Name |
[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-(2,3-dimethylphenyl)methanone
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| Structure |
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| Formula |
C32H36N2O6S
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| Molecular Weight |
576.715
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| Canonical SMILES |
Cc1cccc(C(=O)N2CCC(CC2)N2CCC(CC2)Oc2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)c1C
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| InChI |
InChI=1S/C32H36N2O6S/c1-22-4-3-5-29(23(22)2)32(35)34-16-12-24(13-17-34)33-18-14-26(15-19-33)40-25-6-8-27(9-7-25)41(36,37)28-10-11-30-31(20-28)39-21-38-30/h3-11,20,24,26H,12-19,21H2,1-2H3
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| InChIKey |
HGNHDNMSOVDSPL-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