General Information of the Compound
| Compound ID |
CP0390983
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| Compound Name |
N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C21H34N4O3S
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| Molecular Weight |
422.595
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| Canonical SMILES |
CC(C)S(=O)(=O)N1CCC(CN2CCN(CC2)c2cccc(NC(C)=O)c2)CC1
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| InChI |
InChI=1S/C21H34N4O3S/c1-17(2)29(27,28)25-9-7-19(8-10-25)16-23-11-13-24(14-12-23)21-6-4-5-20(15-21)22-18(3)26/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,22,26)
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| InChIKey |
IKQRMTVLIXROJJ-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