General Information of the Compound
| Compound ID |
CP0562645
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| Compound Name |
US9035059, 11-4
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| Structure |
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| Formula |
C37H43FN2O3S
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| Molecular Weight |
614.827
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| Canonical SMILES |
CCC(N1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(OCCCc2ccccc2)cc1F)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C37H43FN2O3S/c1-5-36(28-13-16-31(17-14-28)37(2,3)4)40-22-21-29-24-33(19-15-30(29)26-40)44(41,42)39-35-20-18-32(25-34(35)38)43-23-9-12-27-10-7-6-8-11-27/h6-8,10-11,13-20,24-25,36,39H,5,9,12,21-23,26H2,1-4H3
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| InChIKey |
LPBDPXLWMBVKCW-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