General Information of the Compound
| Compound ID |
CP0528450
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| Compound Name |
6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-ethylindole-2-carboxylic acid
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| Formula |
C30H30Cl2FN3O4
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| Molecular Weight |
586.491
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| Canonical SMILES |
CCn1c(cc2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1)C(O)=O
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| InChI |
InChI=1S/C30H30Cl2FN3O4/c1-2-36-24-15-20(9-8-19(24)14-25(36)29(37)38)35-12-10-30(33,11-13-35)17-39-16-21-27(34-40-28(21)18-6-7-18)26-22(31)4-3-5-23(26)32/h3-5,8-9,14-15,18H,2,6-7,10-13,16-17H2,1H3,(H,37,38)
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| InChIKey |
IXKMCHDZCOCWOY-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