General Information of the Compound
| Compound ID |
CP0220586
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| Compound Name |
2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
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| Structure |
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| Formula |
C19H17N3O
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| Molecular Weight |
303.365
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| Canonical SMILES |
Cc1[nH]n(N2CC=c3ccccc3=C2)c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C19H17N3O/c1-14-18(16-8-3-2-4-9-16)19(23)22(20-14)21-12-11-15-7-5-6-10-17(15)13-21/h2-11,13,20H,12H2,1H3
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| InChIKey |
GHIMVJDYIXDMTI-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