General Information of the Compound
| Compound ID |
CP0519428
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| Compound Name |
CHEMBL4584383
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| Formula |
C22H33F3N4O4S
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| Molecular Weight |
506.591
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| Canonical SMILES |
FC(F)(F)CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
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| InChI |
InChI=1S/C22H33F3N4O4S/c23-22(24,25)9-10-26-17-5-1-15(2-6-17)14-34(31,32)29-11-7-18(8-12-29)27-21(30)19-13-20(33-28-19)16-3-4-16/h13,15-18,26H,1-12,14H2,(H,27,30)/t15-,17-
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| InChIKey |
PLOCIYCXSGMYJN-JCNLHEQBSA-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