General Information of the Compound
| Compound ID |
CP0847665
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| Compound Name |
rac-(5-(4-(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 |
NCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)CC3c3c(O)cccc3F)s2)cc1
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| InChI |
InChI=1S/C26H21FN4O2S/c27-19-4-1-5-22(32)25(19)21-13-20(18-3-2-12-29-15-18)30-31(21)26(33)24-11-10-23(34-24)17-8-6-16(14-28)7-9-17/h1-12,15,21,32H,13-14,28H2
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| InChIKey |
ZJALCVRKJKBJOP-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