General Information of the Compound
| Compound ID |
CP0416564
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| Compound Name |
4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
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| Structure |
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| Formula |
C37H45Cl2N5O5
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| Molecular Weight |
710.703
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(cc1)C#CCCOC(=O)CCCCCNC(=O)OC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C37H45Cl2N5O5/c1-26-33(35(46)42-43-22-10-6-11-23-43)41-44(31-20-19-29(38)25-30(31)39)34(26)28-17-15-27(16-18-28)13-8-12-24-48-32(45)14-7-5-9-21-40-36(47)49-37(2,3)4/h15-20,25H,5-7,9-12,14,21-24H2,1-4H3,(H,40,47)(H,42,46)
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| InChIKey |
TXFJVXIBQVFCLZ-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