General Information of the Compound
| Compound ID |
CP0158214
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| Compound Name |
CHEBI:29081
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| Structure |
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| Formula |
C9H13NO2
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| Molecular Weight |
167.208
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| Canonical SMILES |
CNCC(O)c1ccc(O)cc1
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| InChI |
InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
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| InChIKey |
YRCWQPVGYLYSOX-UHFFFAOYSA-N
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| CAS |
614-35-7
532-80-9
94-07-5
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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