General Information of the Compound
| Compound ID |
CP0514138
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| Compound Name |
2-chloro-N-((2-fluoro-1-hydroxycycloheptyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide
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| Structure |
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| Formula |
C19H20ClF2N3O2
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| Molecular Weight |
395.837
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| Canonical SMILES |
OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCCCC1F
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| InChI |
InChI=1S/C19H20ClF2N3O2/c20-15-6-5-12(17-23-9-13(21)10-24-17)8-14(15)18(26)25-11-19(27)7-3-1-2-4-16(19)22/h5-6,8-10,16,27H,1-4,7,11H2,(H,25,26)
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| InChIKey |
XGBCTOPMWMSTNZ-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