General Information of the Compound
| Compound ID |
CP0419462
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| Compound Name |
US9427442, 15
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| Structure |
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| Formula |
C27H27F5N4O3
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| Molecular Weight |
550.528
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| Canonical SMILES |
NC(=O)[C@@H](CC1CC(F)(F)C1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O
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| InChI |
InChI=1S/C27H27F5N4O3/c28-26(29)13-15(14-26)12-19(22(33)37)17(10-11-27(30,31)32)24(38)36-23-25(39)34-20-9-5-4-8-18(20)21(35-23)16-6-2-1-3-7-16/h1-9,15,17,19,23H,10-14H2,(H2,33,37)(H,34,39)(H,36,38)/t17-,19+,23-/m1/s1
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| InChIKey |
SBOWAFOVKLYUOM-HFJQGTKSSA-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
Protein ID: PT04100, Neurogenic locus notch homolog protein 1
Protein ID: PT06709, Recombining binding protein suppressor of hairless