General Information of the Compound
| Compound ID |
CP0858709
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| Compound Name |
1-(5-chloro-2-isobutoxybenzyl)-N-(4-((bis(2-hydroxyethyl)amino)methyl)phenyl)-5-methyl-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C27H36Cl2N4O4
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| Molecular Weight |
551.515
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(CN(CCO)CCO)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
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| InChI |
InChI=1S/C27H35ClN4O4.ClH/c1-19(2)18-36-26-9-6-23(28)15-22(26)17-32-20(3)14-25(30-32)27(35)29-24-7-4-21(5-8-24)16-31(10-12-33)11-13-34;/h4-9,14-15,19,33-34H,10-13,16-18H2,1-3H3,(H,29,35);1H
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| InChIKey |
RKGFMHSNOIZPFR-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