General Information of the Compound
| Compound ID |
CP0069399
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| Compound Name |
6-(3-chloro-4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxylic acid
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| Structure |
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| Formula |
C15H14ClN3O2
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| Molecular Weight |
303.749
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| Canonical SMILES |
OC(=O)c1cc(ncn1)-c1ccc(N2CCCC2)c(Cl)c1
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| InChI |
InChI=1S/C15H14ClN3O2/c16-11-7-10(3-4-14(11)19-5-1-2-6-19)12-8-13(15(20)21)18-9-17-12/h3-4,7-9H,1-2,5-6H2,(H,20,21)
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| InChIKey |
KYPSKXAYQTYOFI-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