General Information of the Compound
| Compound ID |
CP0466804
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| Compound Name |
US9796704, Entry 273
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| Structure |
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| Formula |
C25H28Cl2N4O5
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| Molecular Weight |
535.428
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| Canonical SMILES |
CCOC(=O)C(C)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C25H28Cl2N4O5/c1-4-34-25(32)15(2)31-7-8-35-17(12-31)13-36-23-11-21-18(10-22(23)33-3)24(29-14-28-21)30-16-5-6-19(26)20(27)9-16/h5-6,9-11,14-15,17H,4,7-8,12-13H2,1-3H3,(H,28,29,30)
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| InChIKey |
BTGGKWOJEKOLEQ-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