General Information of the Compound
| Compound ID |
CP0444792
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| Compound Name |
6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-methylindole-3-carboxylic acid
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| Formula |
C30H29F4N3O5
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| Molecular Weight |
587.57
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| Canonical SMILES |
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
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| InChI |
InChI=1S/C30H29F4N3O5/c1-36-15-22(28(38)39)20-9-8-19(14-24(20)36)37-12-10-29(31,11-13-37)17-40-16-23-26(35-42-27(23)18-6-7-18)21-4-2-3-5-25(21)41-30(32,33)34/h2-5,8-9,14-15,18H,6-7,10-13,16-17H2,1H3,(H,38,39)
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| InChIKey |
BXJCWTWQCXGJIQ-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