General Information of the Compound
| Compound ID |
CP0506870
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| Compound Name |
3-(2-Methoxy-5-trifluoromethoxy-phenyl)-6-phenyl-7-(1H-[1,2,4]triazol-3-ylmethyl)-1-oxa-7-aza-spiro[4.5]decane
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| Structure |
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| Formula |
C25H27F3N4O3
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| Molecular Weight |
488.51
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| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1[C@H]1COC2(C1)CCCN(Cc1nnc[nH]1)C2c1ccccc1
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| InChI |
InChI=1S/C25H27F3N4O3/c1-33-21-9-8-19(35-25(26,27)28)12-20(21)18-13-24(34-15-18)10-5-11-32(14-22-29-16-30-31-22)23(24)17-6-3-2-4-7-17/h2-4,6-9,12,16,18,23H,5,10-11,13-15H2,1H3,(H,29,30,31)/t18-,23?,24?/m1/s1
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| InChIKey |
CUFZTGAKJQIXIH-WZFBRQLOSA-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