General Information of the Compound
| Compound ID |
CP0381637
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| Compound Name |
N-[2-(7-methoxy-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,10,14,16,18-heptaen-10-yl)ethyl]acetamide
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C23H25N3O2/c1-15(27)24-10-9-19-20-12-18(28-2)7-8-22(20)26-13-17-11-16-5-3-4-6-21(16)25(17)14-23(19)26/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,24,27)
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| InChIKey |
UBSQZXKDXDODTC-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