General Information of the Compound
| Compound ID |
CP0904818
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| Compound Name |
rac-(5-(3-hydroxyphenyl)-3-(pyridin-3-yl)-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 |
C24H18N4O2S
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| Molecular Weight |
426.501
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| Canonical SMILES |
O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)CC1c1cccc(O)c1
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| InChI |
InChI=1S/C24H18N4O2S/c29-18-7-3-5-16(13-18)21-14-20(17-6-4-11-25-15-17)27-28(21)24(30)23-10-9-22(31-23)19-8-1-2-12-26-19/h1-13,15,21,29H,14H2
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| InChIKey |
GHOQOHDGWGIYSZ-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