General Information of the Compound
| Compound ID |
CP0845823
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| Compound Name |
rac-(3-(5-aminopyridin-3-yl)-5-(2-fluoro-6-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 |
C24H18FN5O2S
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| Molecular Weight |
459.506
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| Canonical SMILES |
Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)C(c3c(O)cccc3F)C2)c1
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| InChI |
InChI=1S/C24H18FN5O2S/c25-16-4-3-6-20(31)23(16)19-11-18(14-10-15(26)13-27-12-14)29-30(19)24(32)22-8-7-21(33-22)17-5-1-2-9-28-17/h1-10,12-13,19,31H,11,26H2
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| InChIKey |
UFIWUHFXVKKRTO-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