General Information of the Compound
| Compound ID |
CP0121043
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| Compound Name |
US8680275, 166
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| Structure |
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| Formula |
C26H29FN6O
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| Molecular Weight |
460.557
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| Canonical SMILES |
CN(C)c1ccc(cn1)-c1ccc(F)cc1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc(C)cc(C)n1
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| InChI |
InChI=1S/C26H29FN6O/c1-16-11-17(2)30-26(29-16)33-14-19-9-10-32(15-23(19)33)25(34)22-12-20(27)6-7-21(22)18-5-8-24(28-13-18)31(3)4/h5-8,11-13,19,23H,9-10,14-15H2,1-4H3/t19-,23-/m0/s1
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| InChIKey |
ICXYSAINLSBCNE-CVDCTZTESA-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