General Information of the Compound
| Compound ID |
CP0350545
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| Compound Name |
US9303015, 35
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| Structure |
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| Formula |
C28H20Cl3N3O
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| Molecular Weight |
520.847
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| Canonical SMILES |
CN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cccnc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C28H20Cl3N3O/c1-34(22-10-3-2-4-11-22)26-25(30)23-16-19(12-13-24(23)33-27(26)31)28(35,20-8-6-14-32-17-20)18-7-5-9-21(29)15-18/h2-17,35H,1H3
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| InChIKey |
CXISRSBZHJUAJP-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