General Information of the Compound
| Compound ID |
CP0451654
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| Compound Name |
2-[5-(azepan-1-yl)pentoxy]-6-chloroxanthen-9-one
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| Formula |
C24H28ClNO3
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| Molecular Weight |
413.945
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| Canonical SMILES |
Clc1ccc2c(c1)oc1ccc(OCCCCCN3CCCCCC3)cc1c2=O
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| InChI |
InChI=1S/C24H28ClNO3/c25-18-8-10-20-23(16-18)29-22-11-9-19(17-21(22)24(20)27)28-15-7-3-6-14-26-12-4-1-2-5-13-26/h8-11,16-17H,1-7,12-15H2
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| InChIKey |
LKXYCZQRBHVDER-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