General Information of the Compound
| Compound ID |
CP0326974
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| Compound Name |
US9266835, 63
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| Structure |
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| Formula |
C28H27Cl2N3O3S
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| Molecular Weight |
556.515
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H27Cl2N3O3S/c1-37(35,36)33-14-12-23(13-15-33)31-26-17-27(34)32-25-11-6-20(16-24(25)26)28(18-2-7-21(29)8-3-18)19-4-9-22(30)10-5-19/h2-11,16-17,23,28H,12-15H2,1H3,(H2,31,32,34)
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| InChIKey |
DLJOUCQDCRQVPH-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