General Information of the Compound
| Compound ID |
CP0528340
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| Compound Name |
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-methylpyrimidin-2-yl)benzamide
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| Structure |
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| Formula |
C20H24ClN3O2
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| Molecular Weight |
373.884
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| Canonical SMILES |
Cc1cnc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
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| InChI |
InChI=1S/C20H24ClN3O2/c1-14-11-22-18(23-12-14)15-6-7-17(21)16(10-15)19(25)24-13-20(26)8-4-2-3-5-9-20/h6-7,10-12,26H,2-5,8-9,13H2,1H3,(H,24,25)
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| InChIKey |
DKUSBKIKXOGBSX-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