General Information of the Compound
| Compound ID |
CP0550642
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| Compound Name |
US9278960, 4-103
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| Structure |
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| Formula |
C22H23FN4O
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| Molecular Weight |
378.451
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CCN1
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| InChI |
InChI=1S/C22H23FN4O/c1-14-12-27(9-8-25-14)13-15-2-7-18-19(16-3-5-17(23)6-4-16)11-21(22(24)28)26-20(18)10-15/h2-7,10-11,14,25H,8-9,12-13H2,1H3,(H2,24,28)/t14-/m1/s1
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| InChIKey |
UJEXESQYZPLJHO-CQSZACIVSA-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