General Information of the Compound
| Compound ID |
CP0504399
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| Compound Name |
CHEMBL1829328
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| Formula |
C20H31F2N3O3S
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| Molecular Weight |
431.549
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| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2cc(F)c(F)cc12
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| InChI |
InChI=1S/C20H31F2N3O3S/c1-14(2)29(26,27)24-13-15-3-5-16(6-4-15)23-7-8-25-9-10-28-20-12-18(22)17(21)11-19(20)25/h11-12,14-16,23-24H,3-10,13H2,1-2H3/t15-,16-
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| InChIKey |
LQJDCNJOZWJUNO-WKILWMFISA-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