General Information of the Compound
| Compound ID |
CP0563943
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| Compound Name |
US9067871, 25
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| Structure |
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| Formula |
C21H27Cl2N3O3S
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| Molecular Weight |
472.438
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| Canonical SMILES |
CN(C)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3ccc(Cl)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C21H27Cl2N3O3S/c1-26(2)30(27,28)25-9-10-29-16-6-4-15-5-8-21(24)18(17(15)13-16)11-14-3-7-19(22)20(23)12-14/h3-4,6-7,12-13,18,21,25H,5,8-11,24H2,1-2H3
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| InChIKey |
BROVLNRBRMEFNH-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