General Information of the Compound
| Compound ID |
CP0457918
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| Compound Name |
N-[1-(3,4-dichlorophenyl)pyrazol-4-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C20H14Cl2N6O
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| Molecular Weight |
425.279
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| Canonical SMILES |
Clc1ccc(cc1Cl)-n1cc(NC(=O)c2ccc(Nc3ccncn3)cc2)cn1
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| InChI |
InChI=1S/C20H14Cl2N6O/c21-17-6-5-16(9-18(17)22)28-11-15(10-25-28)27-20(29)13-1-3-14(4-2-13)26-19-7-8-23-12-24-19/h1-12H,(H,27,29)(H,23,24,26)
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| InChIKey |
RCVCFBGHEYBZLH-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