General Information of the Compound
| Compound ID |
CP0916714
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| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)-3-(pyrrolidin-1-ylmethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C27H34Cl2N4O2
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| Molecular Weight |
517.501
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| Canonical SMILES |
Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
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| InChI |
InChI=1S/C27H33ClN4O2.ClH/c1-19(2)18-34-25-10-9-24(28)15-23(25)17-32-20(3)13-26(30-32)29-27(33)22-8-6-7-21(14-22)16-31-11-4-5-12-31;/h6-10,13-15,19H,4-5,11-12,16-18H2,1-3H3,(H,29,30,33);1H
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| InChIKey |
PRKJXODUWVUQLS-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