General Information of the Compound
| Compound ID |
CP0548676
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| Compound Name |
US8791272, 2.46
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| Structure |
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| Formula |
C25H26ClN3O3
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| Molecular Weight |
451.954
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| Canonical SMILES |
CCc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(Cl)cc2C)cc1)C1CC1
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| InChI |
InChI=1S/C25H26ClN3O3/c1-3-22-21(13-23(30)31)24(17-6-7-17)28-29(22)14-16-4-9-19(10-5-16)27-25(32)20-11-8-18(26)12-15(20)2/h4-5,8-12,17H,3,6-7,13-14H2,1-2H3,(H,27,32)(H,30,31)
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| InChIKey |
TXWUCBMJMVCHLO-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