General Information of the Compound
| Compound ID |
CP0444349
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| Compound Name |
1-[4-[6-(4-chlorophenyl)-4-oxo-2,3-dihydrochromen-2-yl]butyl]-3-pyridin-4-ylimidazolidin-2-one
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| Structure |
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| Formula |
C27H26ClN3O3
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| Molecular Weight |
475.976
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc2OC(CCCCN3CCN(C3=O)c3ccncc3)CC(=O)c2c1
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| InChI |
InChI=1S/C27H26ClN3O3/c28-21-7-4-19(5-8-21)20-6-9-26-24(17-20)25(32)18-23(34-26)3-1-2-14-30-15-16-31(27(30)33)22-10-12-29-13-11-22/h4-13,17,23H,1-3,14-16,18H2
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| InChIKey |
ZWMGJKSCKKHHGQ-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