General Information of the Compound
| Compound ID |
CP0919005
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| Compound Name |
rac-(5-(2-fluoro-6-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophen-2-yl)methanone
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| Structure |
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| Formula |
C28H23FN4O2S
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| Molecular Weight |
498.583
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| Canonical SMILES |
O=C(c1ccc(-c2cccc3c2CCNC3)s1)N1N=C(c2cccnc2)CC1c1c(O)cccc1F
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| InChI |
InChI=1S/C28H23FN4O2S/c29-21-7-2-8-24(34)27(21)23-14-22(18-5-3-12-30-16-18)32-33(23)28(35)26-10-9-25(36-26)20-6-1-4-17-15-31-13-11-19(17)20/h1-10,12,16,23,31,34H,11,13-15H2
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| InChIKey |
PWROUUBRSWTXND-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