General Information of the Compound
| Compound ID |
CP0540718
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| Compound Name |
US9340500, I-062
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| Structure |
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| Formula |
C31H27F3N4O2S2
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| Molecular Weight |
608.711
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)c1csc(n1)-c1cccs1
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| InChI |
InChI=1S/C31H27F3N4O2S2/c1-20-24(28(39)35-23-12-6-11-22(17-23)31(32,33)34)18-26(21-9-4-3-5-10-21)38(20)15-8-14-37(2)30(40)25-19-42-29(36-25)27-13-7-16-41-27/h3-7,9-13,16-19H,8,14-15H2,1-2H3,(H,35,39)
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| InChIKey |
GZPXCYRYHKJFIZ-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