General Information of the Compound
| Compound ID |
CP0142186
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| Compound Name |
US9163008, 5
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| Structure |
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| Formula |
C22H20FN5O3
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| Molecular Weight |
421.432
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
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| InChI |
InChI=1S/C22H20FN5O3/c23-14-5-9-16(10-6-14)31-15-7-3-13(4-8-15)22-26-17(20(24)29)12-19(27-22)28-11-1-2-18(28)21(25)30/h3-10,12,18H,1-2,11H2,(H2,24,29)(H2,25,30)/t18-/m0/s1
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| InChIKey |
LRBXLVFQDQKSDR-SFHVURJKSA-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