General Information of the Compound
| Compound ID |
CP0919567
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| Compound Name |
8-(Benzofuran-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one oxalate
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| Structure |
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| Formula |
C25H27N3O6
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| Molecular Weight |
465.506
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| Canonical SMILES |
CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O.O=C(O)C(=O)O
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| InChI |
InChI=1S/C23H25N3O2.C2H2O4/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21;3-1(4)2(5)6/h2-10,16H,11-15,17H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
FOWVNXKPUJRXEJ-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor