General Information of the Compound
| Compound ID |
CP0557461
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| Compound Name |
US9346782, 6
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| Structure |
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| Formula |
C25H26ClN3O4S
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| Molecular Weight |
500.02
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| Canonical SMILES |
CCC(O)(c1cncn1C)c1ccc2nc(OC)c(Cc3ccc(cc3)S(C)(=O)=O)c(Cl)c2c1
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| InChI |
InChI=1S/C25H26ClN3O4S/c1-5-25(30,22-14-27-15-29(22)2)17-8-11-21-19(13-17)23(26)20(24(28-21)33-3)12-16-6-9-18(10-7-16)34(4,31)32/h6-11,13-15,30H,5,12H2,1-4H3
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| InChIKey |
VLVWBDVHEFIMMA-UHFFFAOYSA-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