General Information of the Compound
| Compound ID |
CP0556518
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| Compound Name |
US8796328, 3
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| Structure |
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| Formula |
C18H19ClFN3O3S
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| Molecular Weight |
411.886
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc23)cc1F
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| InChI |
InChI=1S/C18H19ClFN3O3S/c1-27(25,26)23-17-6-2-11(8-15(17)20)10-21-18(24)22-16-7-3-12-9-13(19)4-5-14(12)16/h2,4-6,8-9,16,23H,3,7,10H2,1H3,(H2,21,22,24)/t16-/m1/s1
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| InChIKey |
JPFZDECWFLZJKP-MRXNPFEDSA-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