General Information of the Compound
| Compound ID |
CP0386051
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| Compound Name |
(R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-(2,4-dichlorophenylsulfonamido)-3-phenylpropanamide
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| Structure |
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| Formula |
C29H33Cl2N3O4S
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| Molecular Weight |
590.573
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| Canonical SMILES |
CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1
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| InChI |
InChI=1S/C29H33Cl2N3O4S/c1-29(2,3)32-18-19-9-11-22-24(13-14-38-26(22)15-19)33-28(35)17-25(20-7-5-4-6-8-20)34-39(36,37)27-12-10-21(30)16-23(27)31/h4-12,15-16,24-25,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t24-,25-/m1/s1
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| InChIKey |
SYFRYRFSGBUDTO-JWQCQUIFSA-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