General Information of the Compound
| Compound ID |
CP0479192
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| Compound Name |
US8969325, 142
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| Structure |
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| Formula |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3CCOc4c3cccc4C(C)(C)C)cccc12
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| InChI |
InChI=1S/C23H28N4O3/c1-23(2,3)16-8-5-7-14-18(11-12-30-20(14)16)26-21(28)25-17-9-6-10-19-15(17)13-24-22(29)27(19)4/h5-10,18H,11-13H2,1-4H3,(H,24,29)(H2,25,26,28)/t18-/m1/s1
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| InChIKey |
IUZYDCRYBYLHPM-GOSISDBHSA-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