General Information of the Compound
| Compound ID |
CP0906513
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| Compound Name |
(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(4-methyl-2-(pyrazin-2-yl)thiazol-5-yl)methanone
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| Structure |
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| Formula |
C23H18N6O2S
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| Molecular Weight |
442.504
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| Canonical SMILES |
Cc1nc(-c2cnccn2)sc1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
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| InChI |
InChI=1S/C23H18N6O2S/c1-14-21(32-22(27-14)18-13-25-9-10-26-18)23(31)29-19(16-6-2-3-7-20(16)30)11-17(28-29)15-5-4-8-24-12-15/h2-10,12-13,19,30H,11H2,1H3
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| InChIKey |
HJKASTJWCRVZNI-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