General Information of the Compound
| Compound ID |
CP0445188
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| Compound Name |
US9340500, I-061
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| Structure |
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| Formula |
C33H29F3N4O2S
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| Molecular Weight |
602.682
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)c1csc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H29F3N4O2S/c1-22-27(30(41)37-26-16-9-15-25(19-26)33(34,35)36)20-29(23-11-5-3-6-12-23)40(22)18-10-17-39(2)32(42)28-21-43-31(38-28)24-13-7-4-8-14-24/h3-9,11-16,19-21H,10,17-18H2,1-2H3,(H,37,41)
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| InChIKey |
FJTZSKQORVZOJF-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