General Information of the Compound
| Compound ID |
CP0442933
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| Compound Name |
US9233111, 16
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| Structure |
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| Formula |
C31H33FN6O4
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| Molecular Weight |
572.641
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| Canonical SMILES |
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2F)C(C)(C)O)c1CO
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| InChI |
InChI=1S/C31H33FN6O4/c1-31(2,42)19-8-9-21(24(32)14-19)29(40)36-25-7-5-6-20(23(25)16-39)27-22-15-26(35-28(22)34-17-33-27)18-10-12-38(13-11-18)30(41)37(3)4/h5-10,14-15,17,39,42H,11-13,16H2,1-4H3,(H,36,40)(H,33,34,35)
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| InChIKey |
YEUUOSNTDSZKQF-UHFFFAOYSA-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