General Information of the Compound
| Compound ID |
CP0373393
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| Compound Name |
Tetrahydropyranyl-methyl analogue, 47
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| Structure |
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| Formula |
C23H32N2O2
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| Molecular Weight |
368.521
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| Canonical SMILES |
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CN)cc23)C1(C)C
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| InChI |
InChI=1S/C23H32N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,12-13,24H2,1-4H3
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| InChIKey |
IRTBNEISJSBZBS-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