General Information of the Compound
| Compound ID |
CP0010793
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| Compound Name |
US9777008, Compound 80
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| Structure |
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| Formula |
C27H29N3O2
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| Molecular Weight |
427.548
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| Canonical SMILES |
CC1N(CC(O)COc2cccc(c2)-c2ccc3ncn(C)c3c2)CCc2ccccc12
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| InChI |
InChI=1S/C27H29N3O2/c1-19-25-9-4-3-6-20(25)12-13-30(19)16-23(31)17-32-24-8-5-7-21(14-24)22-10-11-26-27(15-22)29(2)18-28-26/h3-11,14-15,18-19,23,31H,12-13,16-17H2,1-2H3
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| InChIKey |
URWSWKIVWZXQQQ-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