General Information of the Compound
| Compound ID |
CP0444793
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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-ethylindole-3-carboxylic acid
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| Formula |
C31H31F4N3O5
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| Molecular Weight |
601.597
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| Canonical SMILES |
CCn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
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| InChI |
InChI=1S/C31H31F4N3O5/c1-2-37-16-23(29(39)40)21-10-9-20(15-25(21)37)38-13-11-30(32,12-14-38)18-41-17-24-27(36-43-28(24)19-7-8-19)22-5-3-4-6-26(22)42-31(33,34)35/h3-6,9-10,15-16,19H,2,7-8,11-14,17-18H2,1H3,(H,39,40)
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| InChIKey |
QKDNZMUZQVJEEZ-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