General Information of the Compound
| Compound ID |
CP0516129
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| Compound Name |
US9045389, 12
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| Structure |
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| Formula |
C29H22Cl3FN2O3
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| Molecular Weight |
571.863
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(cc1F)-c1cc(Cl)ccc1CNc1ccc(cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C29H22Cl3FN2O3/c30-20-5-1-19(16-35-22-7-2-17(3-8-22)23-10-6-21(31)15-26(23)32)25(14-20)18-4-9-24(27(33)13-18)29(38)34-12-11-28(36)37/h1-10,13-15,35H,11-12,16H2,(H,34,38)(H,36,37)
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| InChIKey |
LTLVAFQDLQFBPX-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