General Information of the Compound
| Compound ID |
CP0194799
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| Compound Name |
4-(3-aminophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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| Structure |
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| Formula |
C19H17N5O
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| Molecular Weight |
331.379
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| Canonical SMILES |
Cn1c(c(-c2cccc(N)c2)c(=O)n1C)-c1ccc2nccnc2c1
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| InChI |
InChI=1S/C19H17N5O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,20H2,1-2H3
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| InChIKey |
DHZPFNWYOKQHND-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