General Information of the Compound
| Compound ID |
CP0155384
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| Compound Name |
[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C30H32N2O6S
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| Molecular Weight |
548.661
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| Canonical SMILES |
O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1ccccc1
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| InChI |
InChI=1S/C30H32N2O6S/c33-30(22-4-2-1-3-5-22)32-16-12-23(13-17-32)31-18-14-25(15-19-31)38-24-6-8-26(9-7-24)39(34,35)27-10-11-28-29(20-27)37-21-36-28/h1-11,20,23,25H,12-19,21H2
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| InChIKey |
DHUILUBJUXEWSH-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