General Information of the Compound
| Compound ID |
CP0457735
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| Compound Name |
(R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-phenyl-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide
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| Structure |
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| Formula |
C30H34F3N3O4S
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| Molecular Weight |
589.68
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| Canonical SMILES |
CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C30H34F3N3O4S/c1-29(2,3)34-19-20-12-13-24-25(14-15-40-27(24)16-20)35-28(37)18-26(21-8-5-4-6-9-21)36-41(38,39)23-11-7-10-22(17-23)30(31,32)33/h4-13,16-17,25-26,34,36H,14-15,18-19H2,1-3H3,(H,35,37)/t25-,26-/m1/s1
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| InChIKey |
WLZHGXRFLCIBPM-CLJLJLNGSA-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