General Information of the Compound
| Compound ID |
CP0447588
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| Compound Name |
3,3-dimethyl-1-(4-((6-(4-(propylsulfonyl)piperazin-1-yl)pyridin-3-yloxy)methyl)piperidin-1-yl)butan-1-one
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| Structure |
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| Formula |
C24H40N4O4S
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| Molecular Weight |
480.675
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)CC(C)(C)C)cn1
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| InChI |
InChI=1S/C24H40N4O4S/c1-5-16-33(30,31)28-14-12-26(13-15-28)22-7-6-21(18-25-22)32-19-20-8-10-27(11-9-20)23(29)17-24(2,3)4/h6-7,18,20H,5,8-17,19H2,1-4H3
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| InChIKey |
ZKIFREPYTWDDPC-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