General Information of the Compound
| Compound ID |
CP0288441
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| Compound Name |
N-[[3-[benzyl(2,2-dimethylpropanoyl)amino]cyclohexyl]methyl]-4-fluoro-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
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| Structure |
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| Formula |
C38H48FN3O3
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| Molecular Weight |
613.818
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| Canonical SMILES |
CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1
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| InChI |
InChI=1S/C38H48FN3O3/c1-38(2,3)37(44)42(27-29-11-5-4-6-12-29)33-14-9-13-30(25-33)28-41(36(43)31-17-19-32(39)20-18-31)34-15-10-16-35(26-34)45-24-23-40-21-7-8-22-40/h4-6,10-12,15-20,26,30,33H,7-9,13-14,21-25,27-28H2,1-3H3
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| InChIKey |
JEOIMYUIHSWTEE-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