General Information of the Compound
| Compound ID |
CP0452227
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| Compound Name |
N-(4-propan-2-ylphenyl)-4-[[6-(4-propylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C28H41N5O4S
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| Molecular Weight |
543.734
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)Nc2ccc(cc2)C(C)C)cn1
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| InChI |
InChI=1S/C28H41N5O4S/c1-4-19-38(35,36)33-17-15-31(16-18-33)27-10-9-26(20-29-27)37-21-23-11-13-32(14-12-23)28(34)30-25-7-5-24(6-8-25)22(2)3/h5-10,20,22-23H,4,11-19,21H2,1-3H3,(H,30,34)
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| InChIKey |
ZCLFJHMMUILSLE-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