General Information of the Compound
| Compound ID |
CP0529242
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| Compound Name |
US8987473, 89
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| Structure |
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| Formula |
C19H17Cl2NO2
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| Molecular Weight |
362.256
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| Canonical SMILES |
Cc1cn(Cc2c(Cl)cccc2Cl)c2cc(CCC(O)=O)ccc12
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| InChI |
InChI=1S/C19H17Cl2NO2/c1-12-10-22(11-15-16(20)3-2-4-17(15)21)18-9-13(5-7-14(12)18)6-8-19(23)24/h2-5,7,9-10H,6,8,11H2,1H3,(H,23,24)
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| InChIKey |
KBOZMSFFJGFCMH-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