General Information of the Compound
| Compound ID |
CP0535128
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| Compound Name |
1,2-dihydroisoquinolin-3(4H)-one
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| Structure |
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| Formula |
C9H9NO
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| Molecular Weight |
147.177
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| Canonical SMILES |
O=C1Cc2ccccc2CN1
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| InChI |
InChI=1S/C9H9NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-4H,5-6H2,(H,10,11)
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| InChIKey |
MGZGPQCRWVOGFE-UHFFFAOYSA-N
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| CAS |
24331-94-0
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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