General Information of the Compound
| Compound ID |
CP0489472
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| Compound Name |
2-chloro-5-(5-fluoropyrimidin-2-yl)-N-((1-hydroxycyclopentyl)methyl)benzamide
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| Structure |
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| Formula |
C17H17ClFN3O2
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| Molecular Weight |
349.793
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| Canonical SMILES |
OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCC1
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| InChI |
InChI=1S/C17H17ClFN3O2/c18-14-4-3-11(15-20-8-12(19)9-21-15)7-13(14)16(23)22-10-17(24)5-1-2-6-17/h3-4,7-9,24H,1-2,5-6,10H2,(H,22,23)
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| InChIKey |
LYJIEJROHPBWSQ-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