General Information of the Compound
| Compound ID |
CP0447671
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| Compound Name |
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
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| Synonyms |
PMID26161824-Compound-53
Pyrazole derivative 39
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| Structure |
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| Formula |
C24H18Cl2FN5O
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| Molecular Weight |
482.346
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| Canonical SMILES |
NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C24H18Cl2FN5O/c25-15-7-5-14(6-8-15)23-18(13-21(28)29)22(24(33)30-17-11-9-16(27)10-12-17)31-32(23)20-4-2-1-3-19(20)26/h1-12H,13H2,(H3,28,29)(H,30,33)
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| InChIKey |
QWOVGBHZFLBBHN-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
Clinical Information about the Compound