General Information of the Compound
| Compound ID |
CP0932303
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| Compound Name |
rac-(5-(2-fluoro-6-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(3-(pyrrolidin-1-ylmethyl)phenyl)thiophen-2-yl)methanone
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| Structure |
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| Formula |
C30H27FN4O2S
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| Molecular Weight |
526.637
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| Canonical SMILES |
O=C(c1ccc(-c2cccc(CN3CCCC3)c2)s1)N1N=C(c2cccnc2)CC1c1c(O)cccc1F
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| InChI |
InChI=1S/C30H27FN4O2S/c31-23-9-4-10-26(36)29(23)25-17-24(22-8-5-13-32-18-22)33-35(25)30(37)28-12-11-27(38-28)21-7-3-6-20(16-21)19-34-14-1-2-15-34/h3-13,16,18,25,36H,1-2,14-15,17,19H2
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| InChIKey |
WNJWWZITNLSOTM-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