General Information of the Compound
| Compound ID |
CP0553703
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| Compound Name |
US9427442, 21
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| Structure |
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| Formula |
C27H29F5N4O4
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| Molecular Weight |
568.543
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| Canonical SMILES |
COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(C)(F)F)C(N)=O)N=C2c1ccccc1
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| InChI |
InChI=1S/C27H29F5N4O4/c1-26(28,29)13-11-16(22(33)37)17(12-14-27(30,31)32)24(38)36-23-25(39)35-21-18(9-6-10-19(21)40-2)20(34-23)15-7-4-3-5-8-15/h3-10,16-17,23H,11-14H2,1-2H3,(H2,33,37)(H,35,39)(H,36,38)/t16-,17+,23+/m0/s1
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| InChIKey |
FSRNLFFSZLWWIK-YGKZAACZSA-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