General Information of the Compound
| Compound ID |
CP0394601
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| Compound Name |
N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C24H26N2O
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| Molecular Weight |
358.485
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| Canonical SMILES |
O=C(NCCc1c2-c3ccccc3CCCn2c2ccccc12)C1CCC1
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| InChI |
InChI=1S/C24H26N2O/c27-24(18-8-5-9-18)25-15-14-21-20-12-3-4-13-22(20)26-16-6-10-17-7-1-2-11-19(17)23(21)26/h1-4,7,11-13,18H,5-6,8-10,14-16H2,(H,25,27)
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| InChIKey |
QOHNNZMJRQJDJV-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