General Information of the Compound
| Compound ID |
CP0529674
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| Compound Name |
(4-fluoro-2,6-dimethylphenyl)-[3-[4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone
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| Structure |
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| Formula |
C30H29F2NO4S
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| Molecular Weight |
537.628
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| Canonical SMILES |
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1
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| InChI |
InChI=1S/C30H29F2NO4S/c1-18-13-21(32)14-19(2)27(18)28(35)30-29(25-8-3-22(34)15-26(25)38-30)37-24-6-4-23(5-7-24)36-12-11-33-10-9-20(16-31)17-33/h3-8,13-15,20,34H,9-12,16-17H2,1-2H3/t20-/m0/s1
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| InChIKey |
ZPFXDKGUYIOWFH-FQEVSTJZSA-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