General Information of the Compound
| Compound ID |
CP0519679
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| Compound Name |
US9427442, 18
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| Structure |
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| Formula |
C25H25F5N4O3
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| Molecular Weight |
524.49
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| Canonical SMILES |
CC(F)(F)C[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)C(N)=O
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| InChI |
InChI=1S/C25H25F5N4O3/c1-24(26,27)13-17(20(31)35)15(11-12-25(28,29)30)22(36)34-21-23(37)32-18-10-6-5-9-16(18)19(33-21)14-7-3-2-4-8-14/h2-10,15,17,21H,11-13H2,1H3,(H2,31,35)(H,32,37)(H,34,36)/t15-,17+,21-/m1/s1
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| InChIKey |
ZTPQNQNCCURRQX-LDBYXDLTSA-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