General Information of the Compound
| Compound ID |
CP0193853
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| Compound Name |
methyl 3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]benzoate
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| Structure |
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| Formula |
C24H25F3N2O5S
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| Molecular Weight |
510.534
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| Canonical SMILES |
COC(=O)c1cccc(c1)C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H25F3N2O5S/c1-34-23(31)17-5-2-4-16(14-17)22(30)28-12-10-20(11-13-28)29(19-8-9-19)35(32,33)21-7-3-6-18(15-21)24(25,26)27/h2-7,14-15,19-20H,8-13H2,1H3
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| InChIKey |
MIWCXWOZKGQAJU-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