General Information of the Compound
| Compound ID |
CP0895579
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| Compound Name |
1-(2-(benzyloxy)-5-chlorobenzyl)-N-(4-(hydroxymethyl)phenyl)-5-methyl-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C26H25Cl2N3O3
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| Molecular Weight |
498.41
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(CO)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1.Cl
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| InChI |
InChI=1S/C26H24ClN3O3.ClH/c1-18-13-24(26(32)28-23-10-7-19(16-31)8-11-23)29-30(18)15-21-14-22(27)9-12-25(21)33-17-20-5-3-2-4-6-20;/h2-14,31H,15-17H2,1H3,(H,28,32);1H
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| InChIKey |
RNXOLWASFROMKB-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