General Information of the Compound
| Compound ID |
CP0283407
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| Compound Name |
6-(3,4-dichloroanilino)pyrimidine-4-carboxylic acid
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| Structure |
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| Formula |
C11H7Cl2N3O2
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| Molecular Weight |
284.102
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| Canonical SMILES |
OC(=O)c1cc(Nc2ccc(Cl)c(Cl)c2)ncn1
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| InChI |
InChI=1S/C11H7Cl2N3O2/c12-7-2-1-6(3-8(7)13)16-10-4-9(11(17)18)14-5-15-10/h1-5H,(H,17,18)(H,14,15,16)
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| InChIKey |
PMHJFSHNGBPIEP-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