General Information of the Compound
| Compound ID |
CP0361689
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| Compound Name |
3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid
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| Formula |
C27H25Cl2FN4O4
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| Molecular Weight |
559.425
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| Canonical SMILES |
OC(=O)c1ccc2c(n[nH]c2c1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1
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| InChI |
InChI=1S/C27H25Cl2FN4O4/c28-19-2-1-3-20(29)22(19)23-18(24(38-33-23)15-4-5-15)13-37-14-27(30)8-10-34(11-9-27)25-17-7-6-16(26(35)36)12-21(17)31-32-25/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,31,32)(H,35,36)
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| InChIKey |
VRZWWESCFAYFJJ-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