General Information of the Compound
| Compound ID |
CP0534502
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| Compound Name |
CHEMBL4573978
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| Formula |
C18H28N4O4S
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| Molecular Weight |
396.513
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
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| InChI |
InChI=1S/C18H28N4O4S/c19-13-3-5-15(6-4-13)27(24,25)22-9-7-14(8-10-22)20-18(23)16-11-17(26-21-16)12-1-2-12/h11-15H,1-10,19H2,(H,20,23)/t13-,15-
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| InChIKey |
RWIMJVNJGHMMOP-CTYIDZIISA-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