General Information of the Compound
| Compound ID |
CP0555723
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| Compound Name |
US11046649, Ex. 5
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| Formula |
C22H19ClF5N3
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| Molecular Weight |
455.858
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| Canonical SMILES |
Fc1cc2ncn([C@@H]3C[C@H]4[C@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@H]4C3)c2cc1F
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| InChI |
InChI=1S/C22H19ClF5N3/c23-12-3-1-11(2-4-12)21(22(26,27)28)29-9-16-14-5-13(6-15(14)16)31-10-30-19-7-17(24)18(25)8-20(19)31/h1-4,7-8,10,13-16,21,29H,5-6,9H2/t13-,14-,15+,16+,21?
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| InChIKey |
YRBZTSFREOOWCL-RPDPBQHOSA-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