General Information of the Compound
| Compound ID |
CP0497395
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| Compound Name |
4-(6-Phenyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)N2CCN(CC2)c2ccc(nn2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C24H27N5O/c1-18(2)19-8-10-21(11-9-19)25-24(30)29-16-14-28(15-17-29)23-13-12-22(26-27-23)20-6-4-3-5-7-20/h3-13,18H,14-17H2,1-2H3,(H,25,30)
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| InChIKey |
JCWJHBJITKQQCY-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