General Information of the Compound
| Compound ID |
CP0483687
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| Compound Name |
US9012651, 48
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| Structure |
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| Formula |
C22H30FN3O3S
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| Molecular Weight |
435.565
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)S(=O)(=O)N1CCCCC1
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| InChI |
InChI=1S/C22H30FN3O3S/c1-16(2)22(15-27)24-14-21-19(23)9-10-20(25-21)17-7-6-8-18(13-17)30(28,29)26-11-4-3-5-12-26/h6-10,13,16,22,24,27H,3-5,11-12,14-15H2,1-2H3/t22-/m0/s1
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| InChIKey |
URLJSXYSSULYME-QFIPXVFZSA-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