General Information of the Compound
| Compound ID |
CP0916834
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| Compound Name |
2-(3-(pyridin-3-yl)-1-(5-(pyridin-3-yl)thiophen-2-ylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)phenol
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| Structure |
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| Formula |
C23H18N4O3S2
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| Molecular Weight |
462.556
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| Canonical SMILES |
O=S(=O)(c1ccc(-c2cccnc2)s1)N1N=C(c2cccnc2)CC1c1ccccc1O
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| InChI |
InChI=1S/C23H18N4O3S2/c28-21-8-2-1-7-18(21)20-13-19(16-5-3-11-24-14-16)26-27(20)32(29,30)23-10-9-22(31-23)17-6-4-12-25-15-17/h1-12,14-15,20,28H,13H2
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| InChIKey |
MZGJGYHVBXLOMQ-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