General Information of the Compound
| Compound ID |
CP0550220
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| Compound Name |
US8901315, 414
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| Structure |
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| Formula |
C25H32N6O2S
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| Molecular Weight |
480.638
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| Canonical SMILES |
CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)cn2)CC1
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| InChI |
InChI=1S/C25H32N6O2S/c1-17-22-14-23(34-25(22)31(28-17)21-6-4-3-5-7-21)24(33)27-19-8-9-20(26-15-19)16-29-10-12-30(13-11-29)18(2)32/h8-9,14-15,21H,3-7,10-13,16H2,1-2H3,(H,27,33)
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| InChIKey |
IVSIAMGLEUFEKB-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