General Information of the Compound
| Compound ID |
CP0492824
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| Compound Name |
5-(Cyclohexylmethoxy)-3-((1-hydroxy-2-methylpropan-2-ylamino)methyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C21H29NO4
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| Molecular Weight |
359.466
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| Canonical SMILES |
CC(C)(CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C21H29NO4/c1-21(2,14-23)22-11-16-13-26-18-10-6-9-17(19(18)20(16)24)25-12-15-7-4-3-5-8-15/h6,9-10,13,15,22-23H,3-5,7-8,11-12,14H2,1-2H3
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| InChIKey |
YFTYZHMPFHEFCM-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