General Information of the Compound
| Compound ID |
CP0419410
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| Compound Name |
US9427442, 25
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| Structure |
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| Formula |
C28H30F4N4O3
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| Molecular Weight |
546.565
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| Canonical SMILES |
Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1(F)CCC1)C(N)=O)N=C2c1ccccc1
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| InChI |
InChI=1S/C28H30F4N4O3/c1-16-7-5-10-19-21(16)35-26(39)24(34-22(19)17-8-3-2-4-9-17)36-25(38)18(11-14-28(30,31)32)20(23(33)37)15-27(29)12-6-13-27/h2-5,7-10,18,20,24H,6,11-15H2,1H3,(H2,33,37)(H,35,39)(H,36,38)/t18-,20+,24-/m1/s1
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| InChIKey |
WJCNQWZOWZRWNV-LJFZDNNRSA-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