General Information of the Compound
| Compound ID |
CP0250147
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| Compound Name |
US9266835, 108
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| Structure |
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| Formula |
C32H31Cl2F3N4O5S
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| Molecular Weight |
711.59
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| Canonical SMILES |
OC(=O)CCCNc1cc(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/C32H31Cl2F3N4O5S/c33-22-7-3-19(4-8-22)30(20-5-9-23(34)10-6-20)21-16-25-26(39-24-11-14-41(15-12-24)47(45,46)32(35,36)37)18-28(42)40-31(25)27(17-21)38-13-1-2-29(43)44/h3-10,16-18,24,30,38H,1-2,11-15H2,(H,43,44)(H2,39,40,42)
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| InChIKey |
MOENVUDLAXJKDW-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