General Information of the Compound
| Compound ID |
CP0532180
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| Compound Name |
3-[4-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-ethyl-5-fluoro-1H-indol-2-one
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| Structure |
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| Formula |
C25H28ClFN2O
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| Molecular Weight |
426.963
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| Canonical SMILES |
CCC1(CCCCN2CCC(=CC2)c2cccc(Cl)c2)C(=O)Nc2ccc(F)cc12
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| InChI |
InChI=1S/C25H28ClFN2O/c1-2-25(22-17-21(27)8-9-23(22)28-24(25)30)12-3-4-13-29-14-10-18(11-15-29)19-6-5-7-20(26)16-19/h5-10,16-17H,2-4,11-15H2,1H3,(H,28,30)
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| InChIKey |
OLERFZUAPKZXLP-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