General Information of the Compound
| Compound ID |
CP0444039
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| Compound Name |
N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-thiophen-3-ylbenzamide
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| Structure |
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| Formula |
C32H32FN3O2S
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| Molecular Weight |
541.692
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| Canonical SMILES |
CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccsc2)cc1F)c1ccccc1
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| InChI |
InChI=1S/C32H32FN3O2S/c1-2-34-32(38)30(22-8-4-3-5-9-22)23-14-17-36(18-15-23)29-13-12-25(20-28(29)33)35-31(37)27-11-7-6-10-26(27)24-16-19-39-21-24/h3-13,16,19-21,23,30H,2,14-15,17-18H2,1H3,(H,34,38)(H,35,37)
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| InChIKey |
RIGQMJQWXWAARJ-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