General Information of the Compound
| Compound ID |
CP0490565
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| Compound Name |
US8686018, 106
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| Structure |
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| Formula |
C21H18ClF2N3O4
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| Molecular Weight |
449.841
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| Canonical SMILES |
C[C@H](NC(=O)c1c(Oc2cccc(Cl)c2)n(C)nc1C(F)F)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H18ClF2N3O4/c1-11(12-6-8-13(9-7-12)21(29)30)25-19(28)16-17(18(23)24)26-27(2)20(16)31-15-5-3-4-14(22)10-15/h3-11,18H,1-2H3,(H,25,28)(H,29,30)/t11-/m0/s1
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| InChIKey |
VBCVSWOEMPKQKD-NSHDSACASA-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