General Information of the Compound
| Compound ID |
CP0895153
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| Compound Name |
(S)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-ethanone
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| Structure |
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| Formula |
C17H25NO2
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| Molecular Weight |
275.392
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| Canonical SMILES |
CCCN(C(C)C)[C@@H]1COc2cccc(C(C)=O)c2C1
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| InChI |
InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3/t14-/m0/s1
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| InChIKey |
ZYESZLRISGYBQK-AWEZNQCLSA-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