General Information of the Compound
| Compound ID |
CP0562457
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| Compound Name |
US9365558, 71
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| Structure |
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| Formula |
C25H21F9N2O5S
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| Molecular Weight |
632.501
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(cc1)C(F)F
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| InChI |
InChI=1S/C25H21F9N2O5S/c1-42(39,40)36-22(38)19-16(13-3-5-14(6-4-13)20(27)28)12-23(25(32,33)34,35-21(19)37)17-8-7-15(11-18(17)26)41-10-2-9-24(29,30)31/h3-8,11,20H,2,9-10,12H2,1H3,(H,35,37)(H,36,38)/t23-/m0/s1
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| InChIKey |
BBQOODPLWKQGDP-QHCPKHFHSA-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