General Information of the Compound
| Compound ID |
CP0882957
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| Compound Name |
1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-N-(4-(pyrrolidin-1-ylmethyl)phenyl)-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C30H32Cl2N4O2
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| Molecular Weight |
551.518
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(CN3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1.Cl
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| InChI |
InChI=1S/C30H31ClN4O2.ClH/c1-22-17-28(30(36)32-27-12-9-23(10-13-27)19-34-15-5-6-16-34)33-35(22)20-25-18-26(31)11-14-29(25)37-21-24-7-3-2-4-8-24;/h2-4,7-14,17-18H,5-6,15-16,19-21H2,1H3,(H,32,36);1H
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| InChIKey |
KRBGCBWTPGZXBL-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