General Information of the Compound
| Compound ID |
CP0008664
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| Compound Name |
US9034866, 129
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| Structure |
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| Formula |
C22H19FN4O3
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| Molecular Weight |
406.417
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| Canonical SMILES |
Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O
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| InChI |
InChI=1S/C22H19FN4O3/c1-11-5-19(26-30-11)22(2,29)4-3-12-8-16-15(9-17(12)23)13-6-14(7-13)27-10-18(20(24)28)25-21(16)27/h5,8-10,13-14,29H,6-7H2,1-2H3,(H2,24,28)/t13?,14?,22-/m1/s1
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| InChIKey |
OHSPVJFJVRIKGA-DVUMAKGASA-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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Table of Molecular Bioactivities Related to the Compound