General Information of the Compound
| Compound ID |
CP0469962
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| Compound Name |
US8969325, 321
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| Structure |
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| Formula |
C20H18ClF2N3O4
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| Molecular Weight |
437.83
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| Canonical SMILES |
C[C@@]1(C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccc(Cl)cc2O1)C(F)F
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| InChI |
InChI=1S/C20H18ClF2N3O4/c1-20(18(22)23)8-14(12-4-2-10(21)6-16(12)30-20)26-19(28)24-11-3-5-15-13(7-11)25-17(27)9-29-15/h2-7,14,18H,8-9H2,1H3,(H,25,27)(H2,24,26,28)/t14-,20-/m1/s1
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| InChIKey |
YOKTWUZWBIXYOA-JLTOFOAXSA-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