General Information of the Compound
| Compound ID |
CP0567815
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| Compound Name |
US9012651, 277
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| Structure |
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| Formula |
C24H34FN3O2
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| Molecular Weight |
415.553
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| Canonical SMILES |
CCCN(CCC)C(=O)c1ccc(cc1)-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1
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| InChI |
InChI=1S/C24H34FN3O2/c1-5-13-28(14-6-2)24(30)19-9-7-18(8-10-19)21-12-11-20(25)22(27-21)15-26-23(16-29)17(3)4/h7-12,17,23,26,29H,5-6,13-16H2,1-4H3/t23-/m0/s1
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| InChIKey |
NKJQMMAQLCXOJA-QHCPKHFHSA-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