General Information of the Compound
| Compound ID |
CP0401050
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| Compound Name |
methyl 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]pentanoate
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| Structure |
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| Formula |
C23H18F6N4O3
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| Molecular Weight |
512.41
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| Canonical SMILES |
COC(=O)CCCCn1cc2cc(ccc2n1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H18F6N4O3/c1-35-19(34)4-2-3-7-33-12-15-8-13(5-6-18(15)31-33)20-30-21(36-32-20)14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h5-6,8-12H,2-4,7H2,1H3
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| InChIKey |
QGGSIZFGJHSTNA-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