General Information of the Compound
| Compound ID |
CP0565567
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| Compound Name |
US8901315, 372
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| Structure |
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| Formula |
C25H32N4O2S
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| Molecular Weight |
452.624
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(N2CCC(O)CC2)c(C)c1
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| InChI |
InChI=1S/C25H32N4O2S/c1-16-14-18(8-9-22(16)28-12-10-20(30)11-13-28)26-24(31)23-15-21-17(2)27-29(25(21)32-23)19-6-4-3-5-7-19/h8-9,14-15,19-20,30H,3-7,10-13H2,1-2H3,(H,26,31)
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| InChIKey |
KOJCLRALCFXTFW-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