General Information of the Compound
| Compound ID |
CP0512233
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| Compound Name |
US8987473, 185
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| Structure |
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| Formula |
C21H21ClN2O2
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| Molecular Weight |
368.864
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| Canonical SMILES |
Cc1nn(Cc2c(Cl)cccc2C2CC2)c2cc(CCC(O)=O)ccc12
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| InChI |
InChI=1S/C21H21ClN2O2/c1-13-16-9-5-14(6-10-21(25)26)11-20(16)24(23-13)12-18-17(15-7-8-15)3-2-4-19(18)22/h2-5,9,11,15H,6-8,10,12H2,1H3,(H,25,26)
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| InChIKey |
UXVNKZHKSALNLD-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