General Information of the Compound
| Compound ID |
CP0508934
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| Compound Name |
US9206164, 92
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| Structure |
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| Formula |
C21H20FN5O3
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| Molecular Weight |
409.421
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| Canonical SMILES |
COc1ccc2[nH]c(nc2n1)-c1ccc(Cn2nc(C)c(CC(O)=O)c2C)c(F)c1
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| InChI |
InChI=1S/C21H20FN5O3/c1-11-15(9-19(28)29)12(2)27(26-11)10-14-5-4-13(8-16(14)22)20-23-17-6-7-18(30-3)24-21(17)25-20/h4-8H,9-10H2,1-3H3,(H,28,29)(H,23,24,25)
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| InChIKey |
KKZNFNFBZBZUIP-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