General Information of the Compound
| Compound ID |
CP0431242
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| Compound Name |
N-[2-[N-[6-[N-(2-acetamidoethyl)-3-methoxyanilino]hexyl]-3-methoxyanilino]ethyl]acetamide
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| Structure |
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| Formula |
C28H42N4O4
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| Molecular Weight |
498.668
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| Canonical SMILES |
COc1cccc(c1)N(CCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O
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| InChI |
InChI=1S/C28H42N4O4/c1-23(33)29-15-19-31(25-11-9-13-27(21-25)35-3)17-7-5-6-8-18-32(20-16-30-24(2)34)26-12-10-14-28(22-26)36-4/h9-14,21-22H,5-8,15-20H2,1-4H3,(H,29,33)(H,30,34)
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| InChIKey |
KDFCFLWJPBQHOA-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