General Information of the Compound
| Compound ID |
CP0853235
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| Compound Name |
rac-(5-(2-(aminomethyl)phenyl)thiophen-2-yl)(5-(2-fluoro-6-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C26H21FN4O2S
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| Molecular Weight |
472.545
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| Canonical SMILES |
NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)CC2c2c(O)cccc2F)s1
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| InChI |
InChI=1S/C26H21FN4O2S/c27-19-8-3-9-22(32)25(19)21-13-20(17-6-4-12-29-15-17)30-31(21)26(33)24-11-10-23(34-24)18-7-2-1-5-16(18)14-28/h1-12,15,21,32H,13-14,28H2
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| InChIKey |
GWLORBQSEANZMK-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