General Information of the Compound
| Compound ID |
CP0877333
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| Compound Name |
1-(5-chloro-2-isobutoxybenzyl)-5-methyl-N-(4-(piperidin-1-ylmethyl)phenyl)-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H36Cl2N4O2
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| Molecular Weight |
531.528
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
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| InChI |
InChI=1S/C28H35ClN4O2.ClH/c1-20(2)19-35-27-12-9-24(29)16-23(27)18-33-21(3)15-26(31-33)28(34)30-25-10-7-22(8-11-25)17-32-13-5-4-6-14-32;/h7-12,15-16,20H,4-6,13-14,17-19H2,1-3H3,(H,30,34);1H
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| InChIKey |
KAGDRLBZNIRMHY-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