General Information of the Compound
| Compound ID |
CP0430843
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| Compound Name |
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H24Cl2N6O
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| Molecular Weight |
471.392
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| Canonical SMILES |
NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C23H24Cl2N6O/c24-16-10-8-15(9-11-16)22-17(14-20(26)27)21(23(32)29-30-12-4-1-5-13-30)28-31(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H3,26,27)(H,29,32)
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| InChIKey |
NTBCKEBLAKIMOW-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