General Information of the Compound
| Compound ID |
CP0518667
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| Compound Name |
US9427442, 8
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| Structure |
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| Formula |
C28H29F5N4O4
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| Molecular Weight |
580.554
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| Canonical SMILES |
COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1ccccc1
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| InChI |
InChI=1S/C28H29F5N4O4/c1-41-20-9-5-8-18-21(16-6-3-2-4-7-16)35-24(26(40)36-22(18)20)37-25(39)17(10-11-28(31,32)33)19(23(34)38)12-15-13-27(29,30)14-15/h2-9,15,17,19,24H,10-14H2,1H3,(H2,34,38)(H,36,40)(H,37,39)/t17-,19+,24-/m1/s1
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| InChIKey |
OXUKVUCQWJCSLA-YIGJPRQDSA-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