General Information of the Compound
| Compound ID |
CP0542318
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| Compound Name |
[3-[4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
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| Structure |
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| Formula |
C29H28FNO4S
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| Molecular Weight |
505.611
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| Canonical SMILES |
Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1
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| InChI |
InChI=1S/C29H28FNO4S/c1-19-4-2-3-5-24(19)27(33)29-28(25-11-6-21(32)16-26(25)36-29)35-23-9-7-22(8-10-23)34-15-14-31-13-12-20(17-30)18-31/h2-11,16,20,32H,12-15,17-18H2,1H3/t20-/m0/s1
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| InChIKey |
DDJGQXZIOWYRGJ-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