General Information of the Compound
| Compound ID |
CP0501929
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| Compound Name |
1-(2-Hydroxy-3-propylamino-propyl)-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)-1,2-dihydro-pyrazol-3-one
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| Structure |
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| Formula |
C21H25N3O3S
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| Molecular Weight |
399.516
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| Canonical SMILES |
CCCNCC(O)Cn1c(C)c(C(=O)c2cccs2)c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C21H25N3O3S/c1-3-11-22-13-17(25)14-23-15(2)19(20(26)18-10-7-12-28-18)21(27)24(23)16-8-5-4-6-9-16/h4-10,12,17,22,25H,3,11,13-14H2,1-2H3
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| InChIKey |
JCKJIYACBBECQA-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