General Information of the Compound
| Compound ID |
CP0525251
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| Compound Name |
US9303045, 38
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| Structure |
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| Formula |
C17H19F3N4O2
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| Molecular Weight |
368.359
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| Canonical SMILES |
FC(F)(F)Cn1cc(C(=O)NC2CC3COCC(C2)N3)c2cccnc12
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| InChI |
InChI=1S/C17H19F3N4O2/c18-17(19,20)9-24-6-14(13-2-1-3-21-15(13)24)16(25)23-10-4-11-7-26-8-12(5-10)22-11/h1-3,6,10-12,22H,4-5,7-9H2,(H,23,25)
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| InChIKey |
OTXBCWMYHLXXOR-UHFFFAOYSA-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