General Information of the Compound
| Compound ID |
CP0451907
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| Compound Name |
US8993586, 123
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| Structure |
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| Formula |
C28H36N6O2
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| Molecular Weight |
488.636
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| Canonical SMILES |
CC(C)(C)Nc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C28H36N6O2/c1-26(2,3)30-23-21-15-19(8-7-18(21)9-12-29-23)25(36)33-13-10-28(11-14-33)16-20-17-34(27(4,5)6)32-22(20)24(35)31-28/h7-9,12,15,17H,10-11,13-14,16H2,1-6H3,(H,29,30)(H,31,35)
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| InChIKey |
QAFQLXQNVOFDDS-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