General Information of the Compound
| Compound ID |
CP0404325
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| Compound Name |
N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C21H20N2O
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| Molecular Weight |
316.404
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| Canonical SMILES |
O=C(NCCc1c2-c3ccccc3Cn2c2ccccc12)C1CC1
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| InChI |
InChI=1S/C21H20N2O/c24-21(14-9-10-14)22-12-11-18-17-7-3-4-8-19(17)23-13-15-5-1-2-6-16(15)20(18)23/h1-8,14H,9-13H2,(H,22,24)
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| InChIKey |
LAODNRUWZWDSDS-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