General Information of the Compound
| Compound ID |
CP0453486
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| Compound Name |
8-(2-Hydroxymethyl-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalen-8-ylmethyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
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| InChI |
InChI=1S/C25H28N4O4/c30-14-17-12-20-21(27-17)6-7-22-23(20)33-19(15-32-22)13-28-10-8-25(9-11-28)24(31)26-16-29(25)18-4-2-1-3-5-18/h1-7,12,19,27,30H,8-11,13-16H2,(H,26,31)
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| InChIKey |
UWNQTNJQOXIWHF-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