General Information of the Compound
| Compound ID |
CP0561694
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| Compound Name |
4-(2-aminopyrimidin-4-yl)-2-cyclopentylbenzoic acid
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| Formula |
C16H17N3O2
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| Molecular Weight |
283.331
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| Canonical SMILES |
Nc1nccc(n1)-c1ccc(C(O)=O)c(c1)C1CCCC1
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| InChI |
InChI=1S/C16H17N3O2/c17-16-18-8-7-14(19-16)11-5-6-12(15(20)21)13(9-11)10-3-1-2-4-10/h5-10H,1-4H2,(H,20,21)(H2,17,18,19)
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| InChIKey |
UHNUJIBUPPPFFF-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