General Information of the Compound
| Compound ID |
CP0556307
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| Compound Name |
US9427442, 12
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| Structure |
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| Formula |
C30H31F5N4O3
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| Molecular Weight |
590.593
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| Canonical SMILES |
NC(=O)[C@@H](CC1CC(F)(F)C1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(C3CC3)c2NC1=O
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| InChI |
InChI=1S/C30H31F5N4O3/c31-29(32)14-16(15-29)13-22(25(36)40)20(11-12-30(33,34)35)27(41)39-26-28(42)38-24-19(17-9-10-17)7-4-8-21(24)23(37-26)18-5-2-1-3-6-18/h1-8,16-17,20,22,26H,9-15H2,(H2,36,40)(H,38,42)(H,39,41)/t20-,22+,26-/m1/s1
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| InChIKey |
WWSOXWIWFGQZFX-LIXHSBQKSA-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