General Information of the Compound
| Compound ID |
CP0273964
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| Compound Name |
US9163008, 7
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| Structure |
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| Formula |
C21H18FN5O3
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| Molecular Weight |
407.405
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| Canonical SMILES |
NC(=O)c1cc(N[C@H]2CCNC2=O)nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C21H18FN5O3/c22-13-3-7-15(8-4-13)30-14-5-1-12(2-6-14)20-26-17(19(23)28)11-18(27-20)25-16-9-10-24-21(16)29/h1-8,11,16H,9-10H2,(H2,23,28)(H,24,29)(H,25,26,27)/t16-/m0/s1
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| InChIKey |
CCBSICWZDFRVAU-INIZCTEOSA-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