General Information of the Compound
| Compound ID |
CP0119397
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| Compound Name |
US9266835, 538
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| Structure |
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| Formula |
C33H33Cl2F3N4O4S
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| Molecular Weight |
709.618
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| Canonical SMILES |
NC(=O)CCCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C33H33Cl2F3N4O4S/c34-24-8-4-21(5-9-24)31(22-6-10-25(35)11-7-22)23-19-27-28(41-26-13-16-42(17-14-26)47(44,45)33(36,37)38)12-15-40-32(27)29(20-23)46-18-2-1-3-30(39)43/h4-12,15,19-20,26,31H,1-3,13-14,16-18H2,(H2,39,43)(H,40,41)
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| InChIKey |
FADKEXQCBBADEK-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