General Information of the Compound
| Compound ID |
CP0452618
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| Compound Name |
N-[2-(4-chlorophenyl)ethyl]-N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C30H29ClF2N2OS
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| Molecular Weight |
539.091
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| Canonical SMILES |
Fc1ccc(CCN2CCC(CC2)N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)c(F)c1
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| InChI |
InChI=1S/C30H29ClF2N2OS/c31-23-8-5-21(6-9-23)11-18-35(30(36)27-20-37-29-4-2-1-3-26(27)29)25-13-16-34(17-14-25)15-12-22-7-10-24(32)19-28(22)33/h1-10,19-20,25H,11-18H2
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| InChIKey |
JLGPWMZDUCEJTA-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