General Information of the Compound
| Compound ID |
CP0478030
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| Compound Name |
US9266869, 27
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| Structure |
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| Formula |
C29H26F4N4O5S
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| Molecular Weight |
618.609
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| Canonical SMILES |
COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1
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| InChI |
InChI=1S/C29H26F4N4O5S/c1-42-25(38)8-3-4-13-43(2,41)37-27(39)20-15-19(26(34)35-17-20)10-9-18-6-5-7-22(14-18)36-28(40)23-16-21(29(31,32)33)11-12-24(23)30/h5-7,11-12,14-17H,3-4,8,13H2,1-2H3,(H2,34,35)(H,36,40)
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| InChIKey |
IPIQDJVAZDCFFX-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