General Information of the Compound
| Compound ID |
CP0458794
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| Compound Name |
(R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-(3,4-dichlorophenylsulfonamido)-3-(4-fluorophenyl)propanamide
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| Structure |
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| Formula |
C29H32Cl2FN3O4S
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| Molecular Weight |
608.563
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| Canonical SMILES |
CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H32Cl2FN3O4S/c1-29(2,3)33-17-18-4-10-22-25(12-13-39-27(22)14-18)34-28(36)16-26(19-5-7-20(32)8-6-19)35-40(37,38)21-9-11-23(30)24(31)15-21/h4-11,14-15,25-26,33,35H,12-13,16-17H2,1-3H3,(H,34,36)/t25-,26-/m1/s1
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| InChIKey |
ITMDLIOIWKXESR-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