General Information of the Compound
| Compound ID |
CP0311688
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| Compound Name |
N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C24H38N4O4
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| Molecular Weight |
446.592
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)NC(C)(C)C)O2)CC1
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| InChI |
InChI=1S/C24H38N4O4/c1-23(2,3)25-22(29)28-11-9-24(10-12-28)31-18-19(32-24)17-26-13-15-27(16-14-26)20-7-5-6-8-21(20)30-4/h5-8,19H,9-18H2,1-4H3,(H,25,29)
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| InChIKey |
MUMWILQJBILXOV-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor