General Information of the Compound
| Compound ID |
CP0399123
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| Compound Name |
US9969687, Compound 247
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| Structure |
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| Formula |
C25H24ClN3O5S
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| Molecular Weight |
514.003
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| Canonical SMILES |
COc1ncccc1CN1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
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| InChI |
InChI=1S/C25H24ClN3O5S/c1-25(2,3)16-7-9-17(10-8-16)35(32,33)28-19-12-11-18(26)20-21(19)24(31)29(23(20)30)14-15-6-5-13-27-22(15)34-4/h5-13,28H,14H2,1-4H3
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| InChIKey |
CEDZGYPMDYRFHD-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