General Information of the Compound
| Compound ID |
CP0510187
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| Compound Name |
US8686018, 108
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| Structure |
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| Formula |
C21H16Cl2F3N3O4
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| Molecular Weight |
502.276
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| Canonical SMILES |
C[C@H](NC(=O)c1c(Oc2ccc(Cl)c(Cl)c2)n(C)nc1C(F)(F)F)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H16Cl2F3N3O4/c1-10(11-3-5-12(6-4-11)20(31)32)27-18(30)16-17(21(24,25)26)28-29(2)19(16)33-13-7-8-14(22)15(23)9-13/h3-10H,1-2H3,(H,27,30)(H,31,32)/t10-/m0/s1
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| InChIKey |
WHTVALHEMKRION-JTQLQIEISA-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