General Information of the Compound
| Compound ID |
CP0380406
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| Compound Name |
CHEMBL3623052
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| Formula |
C25H34N4O5S2
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| Molecular Weight |
534.704
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| Canonical SMILES |
CCN(CC)S(=O)(=O)N[C@H]1CC[C@@](CNC2=NS(=O)(=O)c3cccc(OC)c23)(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H34N4O5S2/c1-4-29(5-2)36(32,33)27-20-14-16-25(17-15-20,19-10-7-6-8-11-19)18-26-24-23-21(34-3)12-9-13-22(23)35(30,31)28-24/h6-13,20,27H,4-5,14-18H2,1-3H3,(H,26,28)/t20-,25-
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| InChIKey |
LCBXDZXDQBCBKU-WBANQOEISA-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