General Information of the Compound
| Compound ID |
CP0481089
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| Compound Name |
US9340500, I-042
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| Structure |
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| Formula |
C30H34F3N3O2
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| Molecular Weight |
525.615
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C30H34F3N3O2/c1-21-26(28(37)34-25-16-9-15-24(19-25)30(31,32)33)20-27(22-11-5-3-6-12-22)36(21)18-10-17-35(2)29(38)23-13-7-4-8-14-23/h3,5-6,9,11-12,15-16,19-20,23H,4,7-8,10,13-14,17-18H2,1-2H3,(H,34,37)
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| InChIKey |
ZZDDTVBGOVKUPN-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