General Information of the Compound
| Compound ID |
CP0474655
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| Compound Name |
N-[2-(3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4,6,8,10,14,16,18-heptaen-10-yl)ethyl]acetamide
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
CC(=O)NCCc1c2CN3C(Cc4ccccc34)Cn2c2ccccc12
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| InChI |
InChI=1S/C22H23N3O/c1-15(26)23-11-10-19-18-7-3-5-9-21(18)25-13-17-12-16-6-2-4-8-20(16)24(17)14-22(19)25/h2-9,17H,10-14H2,1H3,(H,23,26)
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| InChIKey |
FBDNZRUUCXINGI-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