General Information of the Compound
| Compound ID |
CP0451971
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| Compound Name |
3-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
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| Structure |
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| Formula |
C24H29Cl2N3O
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| Molecular Weight |
446.422
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C24H29Cl2N3O/c1-2-24(19-7-3-4-8-22(19)27-23(24)30)11-5-6-12-28-13-15-29(16-14-28)18-9-10-20(25)21(26)17-18/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,27,30)
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| InChIKey |
TWNOAQCUHOXOHW-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