General Information of the Compound
| Compound ID |
CP0491665
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| Compound Name |
US8987473, 149
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| Structure |
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| Formula |
C17H15ClN2O2
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| Molecular Weight |
314.772
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| Canonical SMILES |
Cc1cccc(C)c1Cn1nc(Cl)c2ccc(cc12)C(O)=O
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| InChI |
InChI=1S/C17H15ClN2O2/c1-10-4-3-5-11(2)14(10)9-20-15-8-12(17(21)22)6-7-13(15)16(18)19-20/h3-8H,9H2,1-2H3,(H,21,22)
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| InChIKey |
MJJNAHPCNZQFIE-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