General Information of the Compound
| Compound ID |
CP0528468
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| Compound Name |
5,7-dichloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
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| Structure |
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| Formula |
C24H28Cl3N3O
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| Molecular Weight |
480.867
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2c1cc(Cl)cc2Cl
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| InChI |
InChI=1S/C24H28Cl3N3O/c1-2-24(20-15-18(26)16-21(27)22(20)28-23(24)31)8-3-4-9-29-10-12-30(13-11-29)19-7-5-6-17(25)14-19/h5-7,14-16H,2-4,8-13H2,1H3,(H,28,31)
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| InChIKey |
VNLFLMFHMDJXGU-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