General Information of the Compound
| Compound ID |
CP0920886
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| Compound Name |
rac-(3-(5-aminopyridin-3-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(pyridin-2-yl)thiophen-2-yl)methanone
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| Structure |
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| Formula |
C24H19N5O2S
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| Molecular Weight |
441.516
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| Canonical SMILES |
Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)C(c3ccccc3O)C2)c1
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| InChI |
InChI=1S/C24H19N5O2S/c25-16-11-15(13-26-14-16)19-12-20(17-5-1-2-7-21(17)30)29(28-19)24(31)23-9-8-22(32-23)18-6-3-4-10-27-18/h1-11,13-14,20,30H,12,25H2
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| InChIKey |
UAIBGKHQNYDHJB-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