General Information of the Compound
| Compound ID |
CP0515429
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| Compound Name |
US9428460, 16
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| Formula |
C23H19BrF4N2O2
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| Molecular Weight |
511.313
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| Canonical SMILES |
Fc1cc(ccc1C(F)(F)F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12
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| InChI |
InChI=1S/C23H19BrF4N2O2/c24-18-3-1-2-16-20(10-11-29-21(16)18)32-15-7-5-14(6-8-15)30-22(31)13-4-9-17(19(25)12-13)23(26,27)28/h1-4,9-12,14-15H,5-8H2,(H,30,31)/t14-,15-
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| InChIKey |
SKHBRZUVHBVDFH-SHTZXODSSA-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