General Information of the Compound
| Compound ID |
CP0561154
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| Compound Name |
US9427442, 19
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| Structure |
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| Formula |
C26H25F7N4O3
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| Molecular Weight |
574.497
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| Canonical SMILES |
C[C@@H](C[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O)C(N)=O)C(F)(F)F
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| InChI |
InChI=1S/C26H25F7N4O3/c1-13(26(31,32)33)12-17(21(34)38)15(10-11-25(28,29)30)23(39)37-22-24(40)36-20-16(8-5-9-18(20)27)19(35-22)14-6-3-2-4-7-14/h2-9,13,15,17,22H,10-12H2,1H3,(H2,34,38)(H,36,40)(H,37,39)/t13-,15+,17-,22+/m0/s1
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| InChIKey |
PNAKCIOOKPJNCG-HMVOWMFESA-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