General Information of the Compound
| Compound ID |
CP0371880
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| Compound Name |
CHEMBL392528
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| Formula |
C28H34F3N5O3S
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| Molecular Weight |
577.673
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1
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| InChI |
InChI=1S/C28H34F3N5O3S/c1-20(37)33-24-6-8-27(9-7-24)40(38,39)34-25-4-2-21(3-5-25)10-11-35-12-14-36(15-13-35)26-17-22(19-32)16-23(18-26)28(29,30)31/h6-9,16-18,21,25,34H,2-5,10-15H2,1H3,(H,33,37)/t21-,25-
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| InChIKey |
LXMMBRNGXUZPDD-OKDASEJXSA-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