General Information of the Compound
| Compound ID |
CP0364291
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| Compound Name |
5-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-2-ethylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H23ClN4O3
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| Molecular Weight |
462.937
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| Canonical SMILES |
CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(CC)n1
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| InChI |
InChI=1S/C25H23ClN4O3/c1-3-21(31)23-22(15-8-6-5-7-9-15)19-12-16(26)10-11-18(19)25(33)29(23)14-17-13-20(24(27)32)30(4-2)28-17/h5-13H,3-4,14H2,1-2H3,(H2,27,32)
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| InChIKey |
KZUMPIXAAHNBCA-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