General Information of the Compound
| Compound ID |
CP0431602
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| Compound Name |
8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carboxylic acid (3-phenyl-propyl)-amide
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| Structure |
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| Formula |
C30H33N3O3
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| Molecular Weight |
483.612
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| Canonical SMILES |
O=C(NCCCc1ccccc1)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
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| InChI |
InChI=1S/C30H33N3O3/c34-30(32-18-8-14-23-11-5-2-6-12-23)27-19-25-26(33-27)15-16-28-29(25)36-24(21-35-28)20-31-17-7-13-22-9-3-1-4-10-22/h1-6,9-12,15-16,19,24,31,33H,7-8,13-14,17-18,20-21H2,(H,32,34)
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| InChIKey |
XAJNHJMBQCJVMY-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor