General Information of the Compound
| Compound ID |
CP0414229
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| Compound Name |
US9233953, 124
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| Structure |
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| Formula |
C24H27F3N2O4S
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| Molecular Weight |
496.551
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| Canonical SMILES |
COc1ccc(cc1C(F)(F)F)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C24H27F3N2O4S/c1-33-22-8-7-19(15-20(22)24(25,26)27)28-11-12-29(21(16-28)17-5-3-2-4-6-17)23(30)18-9-13-34(31,32)14-10-18/h2-8,15,18,21H,9-14,16H2,1H3
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| InChIKey |
NJFOJGLBXVPYNX-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