General Information of the Compound
| Compound ID |
CP0524333
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| Compound Name |
(R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-(3-chloro-2-methylphenylsulfonamido)-3-phenylpropanamide
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| Structure |
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| Formula |
C30H36ClN3O4S
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| Molecular Weight |
570.155
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| Canonical SMILES |
Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(CNC(C)(C)C)ccc12)c1ccccc1
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| InChI |
InChI=1S/C30H36ClN3O4S/c1-20-24(31)11-8-12-28(20)39(36,37)34-26(22-9-6-5-7-10-22)18-29(35)33-25-15-16-38-27-17-21(13-14-23(25)27)19-32-30(2,3)4/h5-14,17,25-26,32,34H,15-16,18-19H2,1-4H3,(H,33,35)/t25-,26-/m1/s1
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| InChIKey |
RFZOXQFIPGWDKX-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