General Information of the Compound
| Compound ID |
CP0561761
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| Compound Name |
1-[4-[6-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]butyl]-3-pyridin-4-ylimidazolidin-2-one
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| Structure |
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| Formula |
C27H28ClN3O2
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| Molecular Weight |
461.993
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc2OC(CCCCN3CCN(C3=O)c3ccncc3)CCc2c1
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| InChI |
InChI=1S/C27H28ClN3O2/c28-23-8-4-20(5-9-23)21-7-11-26-22(19-21)6-10-25(33-26)3-1-2-16-30-17-18-31(27(30)32)24-12-14-29-15-13-24/h4-5,7-9,11-15,19,25H,1-3,6,10,16-18H2
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| InChIKey |
LAAITSHXZRODOL-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: PT06427, Genome polyprotein
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2