General Information of the Compound
| Compound ID |
CP0384850
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| Compound Name |
US9067935, 87
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| Structure |
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| Formula |
C26H24ClF4N5O3S
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| Molecular Weight |
598.022
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| Canonical SMILES |
CCc1c(nc2ccc(Cl)cn12)N(Cc1ccc(c(F)c1)C(F)(F)F)S(=O)(=O)c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C26H24ClF4N5O3S/c1-2-22-25(33-24-7-4-18(27)16-35(22)24)36(15-17-3-6-20(21(28)13-17)26(29,30)31)40(37,38)19-5-8-23(32-14-19)34-9-11-39-12-10-34/h3-8,13-14,16H,2,9-12,15H2,1H3
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| InChIKey |
MNCHVRFWIXJXON-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