General Information of the Compound
| Compound ID |
CP0557043
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| Compound Name |
N-(4-chlorophenyl)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetamide
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| Structure |
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| Formula |
C21H23ClN2O
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| Molecular Weight |
354.881
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| Canonical SMILES |
Clc1ccc(NC(=O)CN2CCC3(CCc4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C21H23ClN2O/c22-17-5-7-18(8-6-17)23-20(25)15-24-13-11-21(12-14-24)10-9-16-3-1-2-4-19(16)21/h1-8H,9-15H2,(H,23,25)
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| InChIKey |
GKWPJAYVMXQLCZ-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: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02896, Tryptophan 2,3-dioxygenase