General Information of the Compound
| Compound ID |
CP0511060
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| Compound Name |
furan-2-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C25H34N2O2S
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| Molecular Weight |
426.626
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccco2)cc1
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| InChI |
InChI=1S/C25H34N2O2S/c1-19(2)30-23-7-5-20(6-8-23)18-21-9-13-26(14-10-21)22-11-15-27(16-12-22)25(28)24-4-3-17-29-24/h3-8,17,19,21-22H,9-16,18H2,1-2H3
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| InChIKey |
CZSRYRXGRSRLGM-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