General Information of the Compound
| Compound ID |
CP0484580
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| Compound Name |
1-[5-[[5-(4-fluorophenyl)-9-[2-(trifluoromethoxy)phenyl]-1,7-dioxa-4-azaspiro[5.5]undecan-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C27H31F4N5O3
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| Molecular Weight |
549.569
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| Canonical SMILES |
CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2OC(F)(F)F)C1c1ccc(F)cc1
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| InChI |
InChI=1S/C27H31F4N5O3/c1-35(2)15-22-23(33-34-32-22)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-24(21)39-27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)
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| InChIKey |
GXDHHASFXFRRTG-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