General Information of the Compound
| Compound ID |
CP0389003
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| Compound Name |
1-((3-fluoro-4-(5-(1-phenylcyclopentyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)methyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H26FN3O2S
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| Molecular Weight |
487.6
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCCC3)c3ccccc3)c(F)c2)C1
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| InChI |
InChI=1S/C28H26FN3O2S/c29-22-14-18(15-32-16-19(17-32)27(33)34)8-9-21(22)25-30-23-10-11-24(31-26(23)35-25)28(12-4-5-13-28)20-6-2-1-3-7-20/h1-3,6-11,14,19H,4-5,12-13,15-17H2,(H,33,34)
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| InChIKey |
XOISWOAQHPFMSU-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