General Information of the Compound
| Compound ID |
CP0003862
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| Compound Name |
US9777008, Compound 269
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| Structure |
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| Formula |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc2ncn(C3COC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C28H29N3O3/c32-25(15-30-11-10-20-4-1-2-5-23(20)14-30)18-34-26-7-3-6-21(12-26)22-8-9-27-28(13-22)31(19-29-27)24-16-33-17-24/h1-9,12-13,19,24-25,32H,10-11,14-18H2
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| InChIKey |
WRDVWZZVGHSXQB-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