General Information of the Compound
| Compound ID |
CP0490700
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| Compound Name |
4-(N-(4-chlorophenethyl)benzo[b]thiophene-3-carboxamido)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C29H26ClF2N3O2S
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| Molecular Weight |
554.062
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| Canonical SMILES |
Fc1ccc(NC(=O)N2CCC(CC2)N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)c(F)c1
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| InChI |
InChI=1S/C29H26ClF2N3O2S/c30-20-7-5-19(6-8-20)11-16-35(28(36)24-18-38-27-4-2-1-3-23(24)27)22-12-14-34(15-13-22)29(37)33-26-10-9-21(31)17-25(26)32/h1-10,17-18,22H,11-16H2,(H,33,37)
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| InChIKey |
UMERSEDFPNHLEN-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