General Information of the Compound
| Compound ID |
CP0450301
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| Compound Name |
US8987473, 133
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| Structure |
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| Formula |
C19H18Cl2N2O2
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| Molecular Weight |
377.271
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| Canonical SMILES |
Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCCC(O)=O)ccc12
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| InChI |
InChI=1S/C19H18Cl2N2O2/c1-12-14-9-8-13(4-2-7-19(24)25)10-18(14)23(22-12)11-15-16(20)5-3-6-17(15)21/h3,5-6,8-10H,2,4,7,11H2,1H3,(H,24,25)
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| InChIKey |
HNIXVNBDQNRZAC-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