General Information of the Compound
| Compound ID |
CP0546225
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| Compound Name |
2-[6-(azepan-1-yl)hexoxy]xanthen-9-one
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| Structure |
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| Formula |
C25H31NO3
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| Molecular Weight |
393.527
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| Canonical SMILES |
O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCCC3)cc12
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| InChI |
InChI=1S/C25H31NO3/c27-25-21-11-5-6-12-23(21)29-24-14-13-20(19-22(24)25)28-18-10-4-3-9-17-26-15-7-1-2-8-16-26/h5-6,11-14,19H,1-4,7-10,15-18H2
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| InChIKey |
DTEPKYSLLWLWRZ-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