General Information of the Compound
| Compound ID |
CP0455630
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| Compound Name |
N,N'-bis[2-(5-methoxy-1H-indol-3-yl)ethyl]decanediamide
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| Structure |
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| Formula |
C32H42N4O4
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| Molecular Weight |
546.712
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| Canonical SMILES |
COc1ccc2[nH]cc(CCNC(=O)CCCCCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1
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| InChI |
InChI=1S/C32H42N4O4/c1-39-25-11-13-29-27(19-25)23(21-35-29)15-17-33-31(37)9-7-5-3-4-6-8-10-32(38)34-18-16-24-22-36-30-14-12-26(40-2)20-28(24)30/h11-14,19-22,35-36H,3-10,15-18H2,1-2H3,(H,33,37)(H,34,38)
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| InChIKey |
KZBZGFPPEMRULN-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