General Information of the Compound
| Compound ID |
CP0902370
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| Compound Name |
8-(Benzofuran-3-ylmethyl)-3-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one oxalate
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| Structure |
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| Formula |
C29H31FN6O6
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| Molecular Weight |
578.601
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| Canonical SMILES |
O=C(O)C(=O)O.O=C1N(Cc2cn(CCF)nn2)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2
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| InChI |
InChI=1S/C27H29FN6O2.C2H2O4/c28-12-15-33-18-22(29-30-33)17-32-20-34(23-6-2-1-3-7-23)27(26(32)35)10-13-31(14-11-27)16-21-19-36-25-9-5-4-8-24(21)25;3-1(4)2(5)6/h1-9,18-19H,10-17,20H2;(H,3,4)(H,5,6)
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| InChIKey |
NJFCJRDSPUZVQE-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