General Information of the Compound
| Compound ID |
CP0458542
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| Compound Name |
US9493412, 48
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| Structure |
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| Formula |
C27H23F2N3O4
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| Molecular Weight |
491.494
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| Canonical SMILES |
C[C@@H](NC(=O)C1=C(O)C(=O)N(C1)c1ccc(F)cc1F)c1cccc(c1)-c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C27H23F2N3O4/c1-15(18-4-3-5-19(12-18)17-6-9-21(10-7-17)31-16(2)33)30-26(35)22-14-32(27(36)25(22)34)24-11-8-20(28)13-23(24)29/h3-13,15,34H,14H2,1-2H3,(H,30,35)(H,31,33)/t15-/m1/s1
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| InChIKey |
QLMWXSOWFRDKTN-OAHLLOKOSA-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