General Information of the Compound
| Compound ID |
CP0474601
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| Compound Name |
ethyl N-[3-[4-(2-acetamidoethyl)-6-methoxynaphthalen-2-yl]phenyl]carbamate
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| Structure |
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| Formula |
C24H26N2O4
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| Molecular Weight |
406.482
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| Canonical SMILES |
CCOC(=O)Nc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1
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| InChI |
InChI=1S/C24H26N2O4/c1-4-30-24(28)26-21-7-5-6-17(14-21)20-12-18-8-9-22(29-3)15-23(18)19(13-20)10-11-25-16(2)27/h5-9,12-15H,4,10-11H2,1-3H3,(H,25,27)(H,26,28)
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| InChIKey |
UEKXNAQNOCLRRQ-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