General Information of the Compound
| Compound ID |
CP0552247
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| Compound Name |
US9427442, 7
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| Structure |
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| Formula |
C30H31F5N4O4
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| Molecular Weight |
606.592
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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(OC3CC3)c2NC1=O
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| InChI |
InChI=1S/C30H31F5N4O4/c31-29(32)14-16(15-29)13-21(25(36)40)19(11-12-30(33,34)35)27(41)39-26-28(42)38-24-20(7-4-8-22(24)43-18-9-10-18)23(37-26)17-5-2-1-3-6-17/h1-8,16,18-19,21,26H,9-15H2,(H2,36,40)(H,38,42)(H,39,41)/t19-,21+,26-/m1/s1
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| InChIKey |
SKRPANNVXVGYFB-BNIKKZEQSA-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