General Information of the Compound
| Compound ID |
CP0444326
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| Compound Name |
US9029401, 2581
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| Formula |
C21H20F3N3O3
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| Molecular Weight |
419.403
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C21H20F3N3O3/c22-21(23,24)30-19-11-5-16(6-12-19)27-20(28)26-15-3-9-18(10-4-15)29-17-7-1-14(13-25)2-8-17/h1-2,5-8,11-12,15,18H,3-4,9-10H2,(H2,26,27,28)/t15-,18-
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| InChIKey |
AAJZVNIIPZZJJH-RZDIXWSQSA-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