General Information of the Compound
| Compound ID |
CP0960020
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| Compound Name |
US8993765, 5
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| Structure |
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| Formula |
C21H17F3N6O
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| Molecular Weight |
426.402
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| Canonical SMILES |
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)nc31)CNCC2
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| InChI |
InChI=1S/C21H17F3N6O/c1-29-16-6-8-25-11-14(16)13-2-5-18(26-20(13)29)30-9-7-12(10-19(30)31)15-3-4-17(28-27-15)21(22,23)24/h2-5,7,9-10,25H,6,8,11H2,1H3
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| InChIKey |
FKAPCEFCFYFDHB-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