General Information of the Compound
| Compound ID |
CP0241006
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| Compound Name |
US9266835, 141
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| Structure |
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| Formula |
C32H34Cl2F3N5O3S
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| Molecular Weight |
696.623
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| Canonical SMILES |
NCCCCNc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)cc(=O)[nH]c12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C32H34Cl2F3N5O3S/c33-23-7-3-20(4-8-23)30(21-5-9-24(34)10-6-21)22-17-26-27(19-29(43)41-31(26)28(18-22)39-14-2-1-13-38)40-25-11-15-42(16-12-25)46(44,45)32(35,36)37/h3-10,17-19,25,30,39H,1-2,11-16,38H2,(H2,40,41,43)
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| InChIKey |
TVNZYEPDTGVKQG-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