General Information of the Compound
| Compound ID |
CP0154491
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| Compound Name |
9-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-ylsulfonyl-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C31H38FN3O4S
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| Molecular Weight |
567.727
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| Canonical SMILES |
CCOc1cc(CN2CCC3(CC2)CCN(CC3)S(=O)(=O)c2cccnc2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C31H38FN3O4S/c1-3-38-28-20-24(21-29(39-4-2)30(28)25-7-9-26(32)10-8-25)23-34-16-11-31(12-17-34)13-18-35(19-14-31)40(36,37)27-6-5-15-33-22-27/h5-10,15,20-22H,3-4,11-14,16-19,23H2,1-2H3
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| InChIKey |
CDOLWFQFQZOXNZ-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