General Information of the Compound
| Compound ID |
CP0860998
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| Compound Name |
8-(Benzofuran-3-ylmethyl)-3-(2-fluoroethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one oxalate
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| Structure |
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| Formula |
C26H28FN3O6
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| Molecular Weight |
497.523
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| Canonical SMILES |
O=C(O)C(=O)O.O=C1N(CCF)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2
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| InChI |
InChI=1S/C24H26FN3O2.C2H2O4/c25-12-15-27-18-28(20-6-2-1-3-7-20)24(23(27)29)10-13-26(14-11-24)16-19-17-30-22-9-5-4-8-21(19)22;3-1(4)2(5)6/h1-9,17H,10-16,18H2;(H,3,4)(H,5,6)
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| InChIKey |
XZYPSBZYPSZOMN-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