General Information of the Compound
| Compound ID |
CP0272839
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| Compound Name |
US8664236, A30a
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| Structure |
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| Formula |
C22H18FN7
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| Molecular Weight |
399.433
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| Canonical SMILES |
CN(c1cccc(F)c1)c1cc(ncn1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H18FN7/c1-29-12-15(10-28-29)14-6-18-19(11-25-22(18)24-9-14)20-8-21(27-13-26-20)30(2)17-5-3-4-16(23)7-17/h3-13H,1-2H3,(H,24,25)
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| InChIKey |
DFNAOVWBCOXSKY-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