General Information of the Compound
| Compound ID |
CP0429922
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| Compound Name |
1-[(2-methoxy-8,9-dihydro-7H-cyclopenta[h]quinolin-9-yl)methyl]-3-propylurea
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| Structure |
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| Formula |
C18H23N3O2
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| Molecular Weight |
313.401
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| Canonical SMILES |
CCCNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12
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| InChI |
InChI=1S/C18H23N3O2/c1-3-10-19-18(22)20-11-14-7-5-12-4-6-13-8-9-15(23-2)21-17(13)16(12)14/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,19,20,22)
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| InChIKey |
DCMXVAZTUHQTTP-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B