General Information of the Compound
| Compound ID |
CP0515082
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| Compound Name |
US9035059, 14-36
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| Structure |
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| Formula |
C30H40FN3O3S
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| Molecular Weight |
541.733
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| Canonical SMILES |
Fc1cc(CCCC2CCCC2)ccc1NS(=O)(=O)c1ccc2CN(CCc2c1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C30H40FN3O3S/c31-28-19-23(10-6-9-22-7-4-5-8-22)13-16-29(28)33-38(36,37)27-15-14-25-21-34(18-17-24(25)20-27)30(35)32-26-11-2-1-3-12-26/h13-16,19-20,22,26,33H,1-12,17-18,21H2,(H,32,35)
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| InChIKey |
HFVVALIIYAVJND-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