General Information of the Compound
| Compound ID |
CP0556462
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| Compound Name |
US8987473, 87
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| Structure |
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| Formula |
C18H16ClNO2
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| Molecular Weight |
313.784
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| Canonical SMILES |
Cc1cn(Cc2ccccc2Cl)c2cc(CC(O)=O)ccc12
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| InChI |
InChI=1S/C18H16ClNO2/c1-12-10-20(11-14-4-2-3-5-16(14)19)17-8-13(9-18(21)22)6-7-15(12)17/h2-8,10H,9,11H2,1H3,(H,21,22)
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| InChIKey |
GKJAAGDBMPGZBB-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