General Information of the Compound
| Compound ID |
CP0505446
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| Compound Name |
5-((2-(4-(2,4-dichlorophenyl)piperazin-1-yl)-2-oxoethoxy)methyl)thiophene-2-carbonitrile
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| Structure |
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| Formula |
C18H17Cl2N3O2S
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| Molecular Weight |
410.326
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| Canonical SMILES |
Clc1ccc(N2CCN(CC2)C(=O)COCc2ccc(s2)C#N)c(Cl)c1
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| InChI |
InChI=1S/C18H17Cl2N3O2S/c19-13-1-4-17(16(20)9-13)22-5-7-23(8-6-22)18(24)12-25-11-15-3-2-14(10-21)26-15/h1-4,9H,5-8,11-12H2
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| InChIKey |
NMWCHQPXBFRMQA-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