General Information of the Compound
| Compound ID |
CP0539063
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| Compound Name |
US9000044, 64
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| Structure |
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| Formula |
C21H18ClNO3
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| Molecular Weight |
367.832
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H18ClNO3/c1-12-16(10-20(25)26)9-15-3-6-17(22)11-19(15)21(12)14-4-7-18(8-5-14)23-13(2)24/h3-9,11H,10H2,1-2H3,(H,23,24)(H,25,26)
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| InChIKey |
SSBFGVGGTSKDIK-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