General Information of the Compound
| Compound ID |
CP0465957
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| Compound Name |
US9428500, 50
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| Structure |
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| Formula |
C37H34N4O3
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| Molecular Weight |
582.704
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| Canonical SMILES |
COc1cc(c(OC)cc1C(=O)c1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C37H34N4O3/c1-40-17-19-41(20-18-40)27-12-9-24(10-13-27)26-11-14-32-30(21-26)35-28(15-16-38-37(35)39-32)29-22-34(44-3)31(23-33(29)43-2)36(42)25-7-5-4-6-8-25/h4-16,21-23H,17-20H2,1-3H3,(H,38,39)
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| InChIKey |
UOWOHEPLDDZSCT-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