General Information of the Compound
| Compound ID |
CP0509380
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| Compound Name |
CHEMBL1829327
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| Formula |
C20H32FN3O3S
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| Molecular Weight |
413.559
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| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2ccc(F)cc12
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| InChI |
InChI=1S/C20H32FN3O3S/c1-15(2)28(25,26)23-14-16-3-6-18(7-4-16)22-9-10-24-11-12-27-20-8-5-17(21)13-19(20)24/h5,8,13,15-16,18,22-23H,3-4,6-7,9-12,14H2,1-2H3/t16-,18-
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| InChIKey |
SKBGYYCKJZNLPJ-SAABIXHNSA-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