General Information of the Compound
| Compound ID |
CP0517473
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| Compound Name |
US9067871, 28
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| Structure |
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| Formula |
C23H27ClN4O3S
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| Molecular Weight |
475.014
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3ccc(Cl)cc3)c2c1
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| InChI |
InChI=1S/C23H27ClN4O3S/c1-28-15-20(14-26-28)32(29,30)27-10-11-31-19-8-4-17-5-9-23(25)22(21(17)13-19)12-16-2-6-18(24)7-3-16/h2-4,6-8,13-15,22-23,27H,5,9-12,25H2,1H3
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| InChIKey |
YMXKRISQYPIPLQ-UHFFFAOYSA-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