General Information of the Compound
| Compound ID |
CP0436292
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| Compound Name |
3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
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| Structure |
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| Formula |
C24H30ClN3O
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| Molecular Weight |
411.977
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C24H30ClN3O/c1-2-24(21-7-3-4-8-22(21)26-23(24)29)13-5-6-14-27-15-17-28(18-16-27)20-11-9-19(25)10-12-20/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,26,29)
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| InChIKey |
ZXFXIIYDRJKCMJ-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