General Information of the Compound
| Compound ID |
CP0888595
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| Compound Name |
rac-(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-o-tolylthiophen-2-yl)methanone
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| Structure |
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| Formula |
C26H21N3O2S
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| Molecular Weight |
439.54
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| Canonical SMILES |
Cc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)s1
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| InChI |
InChI=1S/C26H21N3O2S/c1-17-7-2-3-9-19(17)24-12-13-25(32-24)26(31)29-22(20-10-4-5-11-23(20)30)15-21(28-29)18-8-6-14-27-16-18/h2-14,16,22,30H,15H2,1H3
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| InChIKey |
YVQIENVMTFVCQN-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