General Information of the Compound
| Compound ID |
CP0563960
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| Compound Name |
US9012651, 58
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| Structure |
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| Formula |
C26H30FN3O2
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| Molecular Weight |
435.543
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)C(=O)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C26H30FN3O2/c1-18(2)25(17-31)28-15-24-22(27)12-13-23(29-24)20-10-7-11-21(14-20)26(32)30(3)16-19-8-5-4-6-9-19/h4-14,18,25,28,31H,15-17H2,1-3H3/t25-/m0/s1
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| InChIKey |
VRBKHCIBCPEMFU-VWLOTQADSA-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