General Information of the Compound
| Compound ID |
CP0523896
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| Compound Name |
US9163008, 38
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| Structure |
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| Formula |
C20H17ClFN5O3
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| Molecular Weight |
429.839
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| Canonical SMILES |
C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2cc(Cl)ccc2F)cc1)C(N)=O)C(N)=O
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| InChI |
InChI=1S/C20H17ClFN5O3/c1-10(18(23)28)25-17-9-15(19(24)29)26-20(27-17)11-2-5-13(6-3-11)30-16-8-12(21)4-7-14(16)22/h2-10H,1H3,(H2,23,28)(H2,24,29)(H,25,26,27)/t10-/m0/s1
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| InChIKey |
FERUCLMBAKQOAA-JTQLQIEISA-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