General Information of the Compound
| Compound ID |
CP0377243
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| Compound Name |
N-[2-(11-ethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide
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| Structure |
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| Formula |
C25H30N2O2
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| Molecular Weight |
390.527
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| Canonical SMILES |
CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OCC)cc12
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| InChI |
InChI=1S/C25H30N2O2/c1-3-8-24(28)26-15-14-21-22-17-19(29-4-2)12-13-23(22)27-16-7-10-18-9-5-6-11-20(18)25(21)27/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3,(H,26,28)
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| InChIKey |
LVVTVHRBOLZRJU-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