General Information of the Compound
| Compound ID |
CP0429118
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| Compound Name |
US9199981, F168
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| Structure |
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| Formula |
C21H17FN6O3
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| Molecular Weight |
420.404
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(F)cn12)-c1noc(n1)C1(CC1)C(N)=O
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| InChI |
InChI=1S/C21H17FN6O3/c1-11-2-3-12(17-26-20(31-27-17)21(6-7-21)19(23)30)8-14(11)25-18(29)15-9-24-16-5-4-13(22)10-28(15)16/h2-5,8-10H,6-7H2,1H3,(H2,23,30)(H,25,29)
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| InChIKey |
GANVJQGJEYQSGI-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