General Information of the Compound
| Compound ID |
CP0528993
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| Compound Name |
N-[(4R)-7-(aminomethyl)-3,4-dihydro-2H-chromen-4-yl]-2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
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| Structure |
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| Formula |
C26H24Cl2N4O5S
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| Molecular Weight |
575.474
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| Canonical SMILES |
NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H24Cl2N4O5S/c27-18-8-6-16(12-19(18)28)38(35,36)32-22-4-2-1-3-21(22)31-26(34)23(32)13-25(33)30-20-9-10-37-24-11-15(14-29)5-7-17(20)24/h1-8,11-12,20,23H,9-10,13-14,29H2,(H,30,33)(H,31,34)/t20-,23-/m1/s1
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| InChIKey |
DGHDLKSOHGUYKO-NFBKMPQASA-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