General Information of the Compound
| Compound ID |
CP0560190
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| Compound Name |
6-[4-[[3-(2-chlorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid
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| Formula |
C29H29ClFN3O4
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| Molecular Weight |
538.019
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| Canonical SMILES |
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccccc2Cl)C2CC2)CC1
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| InChI |
InChI=1S/C29H29ClFN3O4/c1-33-15-22(28(35)36)20-9-8-19(14-25(20)33)34-12-10-29(31,11-13-34)17-37-16-23-26(21-4-2-3-5-24(21)30)32-38-27(23)18-6-7-18/h2-5,8-9,14-15,18H,6-7,10-13,16-17H2,1H3,(H,35,36)
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| InChIKey |
KIUWWCSNFRFIAX-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