General Information of the Compound
| Compound ID |
CP0555647
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| Compound Name |
2-[6-(azepan-1-yl)hexoxy]-6-chloroxanthen-9-one
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| Formula |
C25H30ClNO3
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| Molecular Weight |
427.972
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| Canonical SMILES |
Clc1ccc2c(c1)oc1ccc(OCCCCCCN3CCCCCC3)cc1c2=O
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| InChI |
InChI=1S/C25H30ClNO3/c26-19-9-11-21-24(17-19)30-23-12-10-20(18-22(23)25(21)28)29-16-8-4-3-7-15-27-13-5-1-2-6-14-27/h9-12,17-18H,1-8,13-16H2
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| InChIKey |
ZWCILIRMPOCMLE-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