General Information of the Compound
| Compound ID |
CP0140449
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| Compound Name |
2-[5-(azepan-1-yl)pentoxy]xanthen-9-one
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| Structure |
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| Formula |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12
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| InChI |
InChI=1S/C24H29NO3/c26-24-20-10-4-5-11-22(20)28-23-13-12-19(18-21(23)24)27-17-9-3-8-16-25-14-6-1-2-7-15-25/h4-5,10-13,18H,1-3,6-9,14-17H2
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| InChIKey |
KNIPHGXUVWAHCN-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