General Information of the Compound
| Compound ID |
CP0254684
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| Compound Name |
US9303015, 7
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| Structure |
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| Formula |
C31H27Cl2N3O2
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| Molecular Weight |
544.482
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| Canonical SMILES |
CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cccnc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C31H27Cl2N3O2/c1-3-36(4-2)30-29(38-25-13-6-5-7-14-25)28(33)26-19-22(15-16-27(26)35-30)31(37,23-11-9-17-34-20-23)21-10-8-12-24(32)18-21/h5-20,37H,3-4H2,1-2H3
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| InChIKey |
QFGGXRYCVZZIMH-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