General Information of the Compound
| Compound ID |
CP0483050
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| Compound Name |
US9340500, I-100
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| Structure |
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| Formula |
C23H32F3N3O
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| Molecular Weight |
423.523
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| Canonical SMILES |
CNCC(C)(C)Cn1c(C)c(cc1C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H32F3N3O/c1-15-18(20(30)28-17-10-8-9-16(11-17)23(24,25)26)12-19(21(2,3)4)29(15)14-22(5,6)13-27-7/h8-12,27H,13-14H2,1-7H3,(H,28,30)
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| InChIKey |
WKGSQJISFMHNTF-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