General Information of the Compound
| Compound ID |
CP0451906
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| Compound Name |
US8993586, 116
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| Structure |
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| Formula |
C27H34N6O2
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| Molecular Weight |
474.609
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| Canonical SMILES |
CC(C)Nc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C27H34N6O2/c1-17(2)29-23-21-14-19(7-6-18(21)8-11-28-23)25(35)32-12-9-27(10-13-32)15-20-16-33(26(3,4)5)31-22(20)24(34)30-27/h6-8,11,14,16-17H,9-10,12-13,15H2,1-5H3,(H,28,29)(H,30,34)
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| InChIKey |
VLHQXJGJSGIJCT-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