General Information of the Compound
| Compound ID |
CP0920288
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| Compound Name |
rac-(5-(2-fluoro-6-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(1-methyl-1H-pyrazol-4-yl)thiophen-2-yl)methanone
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| Structure |
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| Formula |
C23H18FN5O2S
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| Molecular Weight |
447.495
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| Canonical SMILES |
Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)CC3c3c(O)cccc3F)s2)cn1
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| InChI |
InChI=1S/C23H18FN5O2S/c1-28-13-15(12-26-28)20-7-8-21(32-20)23(31)29-18(22-16(24)5-2-6-19(22)30)10-17(27-29)14-4-3-9-25-11-14/h2-9,11-13,18,30H,10H2,1H3
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| InChIKey |
PTUVLVDEOIATPZ-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