General Information of the Compound
| Compound ID |
CP0845822
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| Compound Name |
rac-(5-(2-fluoro-6-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(isoindolin-5-yl)thiophen-2-yl)methanone
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| Structure |
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| Formula |
C27H21FN4O2S
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| Molecular Weight |
484.556
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| Canonical SMILES |
O=C(c1ccc(-c2ccc3c(c2)CNC3)s1)N1N=C(c2cccnc2)CC1c1c(O)cccc1F
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| InChI |
InChI=1S/C27H21FN4O2S/c28-20-4-1-5-23(33)26(20)22-12-21(18-3-2-10-29-14-18)31-32(22)27(34)25-9-8-24(35-25)16-6-7-17-13-30-15-19(17)11-16/h1-11,14,22,30,33H,12-13,15H2
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| InChIKey |
NTOFFMAVACSJCM-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