General Information of the Compound
| Compound ID |
CP0493132
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| Compound Name |
US9340500, I-046
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| Structure |
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| Formula |
C29H28F3N3O2S
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| Molecular Weight |
539.623
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)Cc1cccs1
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| InChI |
InChI=1S/C29H28F3N3O2S/c1-20-25(28(37)33-23-12-6-11-22(17-23)29(30,31)32)19-26(21-9-4-3-5-10-21)35(20)15-8-14-34(2)27(36)18-24-13-7-16-38-24/h3-7,9-13,16-17,19H,8,14-15,18H2,1-2H3,(H,33,37)
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| InChIKey |
ZEVMASZXMJHPMQ-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