General Information of the Compound
| Compound ID |
CP0958963
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| Compound Name |
3-((2-chloro-4-(pyrrolidin-1-yl)phenoxy)methyl)-2-fluorobenzoic acid
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| Structure |
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| Formula |
C18H17ClFNO3
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| Molecular Weight |
349.789
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc(N3CCCC3)cc2Cl)c1F
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| InChI |
InChI=1S/C18H17ClFNO3/c19-15-10-13(21-8-1-2-9-21)6-7-16(15)24-11-12-4-3-5-14(17(12)20)18(22)23/h3-7,10H,1-2,8-9,11H2,(H,22,23)
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| InChIKey |
YPTXMCPTDXWPLW-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