General Information of the Compound
| Compound ID |
CP0396886
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| Compound Name |
2-(5-chloro-2-methylphenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C17H16ClN5O
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| Molecular Weight |
341.802
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| Canonical SMILES |
CNc1nccc(n1)-c1cc(C(N)=O)c([nH]1)-c1cc(Cl)ccc1C
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| InChI |
InChI=1S/C17H16ClN5O/c1-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(22-15)13-5-6-21-17(20-2)23-13/h3-8,22H,1-2H3,(H2,19,24)(H,20,21,23)
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| InChIKey |
BGPKIRZIIRONDF-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