General Information of the Compound
| Compound ID |
CP0452342
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| Compound Name |
N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C26H22N2O3
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| Molecular Weight |
410.473
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| Canonical SMILES |
COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cc2ccccc2c2ccccc12
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| InChI |
InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29)
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| InChIKey |
DVLINYDEMGFXFS-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B