General Information of the Compound
| Compound ID |
CP0387215
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| Compound Name |
(5-chloro-3-ethyl-1H-indol-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C21H21Cl2N3O
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| Molecular Weight |
402.325
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| Canonical SMILES |
CCc1c([nH]c2ccc(Cl)cc12)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H21Cl2N3O/c1-2-17-18-13-15(23)5-8-19(18)24-20(17)21(27)26-11-9-25(10-12-26)16-6-3-14(22)4-7-16/h3-8,13,24H,2,9-12H2,1H3
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| InChIKey |
ADJAEKRETOSJPM-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