General Information of the Compound
| Compound ID |
CP0453333
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| Compound Name |
2-amino-6-chloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cycloheptyl]methyl]benzamide
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| Structure |
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| Formula |
C22H35ClN4O3S
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| Molecular Weight |
471.067
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCCC1
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| InChI |
InChI=1S/C22H35ClN4O3S/c1-2-16-31(29,30)27-14-12-26(13-15-27)22(10-5-3-4-6-11-22)17-25-21(28)20-18(23)8-7-9-19(20)24/h7-9H,2-6,10-17,24H2,1H3,(H,25,28)
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| InChIKey |
UXRMZUKATUJUPS-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