General Information of the Compound
| Compound ID |
CP0904819
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| Compound Name |
rac-(5-(4-(hydroxymethyl)phenyl)thiophen-2-yl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C26H21N3O3S
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| Molecular Weight |
455.539
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| Canonical SMILES |
O=C(c1ccc(-c2ccc(CO)cc2)s1)N1N=C(c2cccnc2)CC1c1ccccc1O
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| InChI |
InChI=1S/C26H21N3O3S/c30-16-17-7-9-18(10-8-17)24-11-12-25(33-24)26(32)29-22(20-5-1-2-6-23(20)31)14-21(28-29)19-4-3-13-27-15-19/h1-13,15,22,30-31H,14,16H2
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| InChIKey |
KRDKITRDISDJDG-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