General Information of the Compound
| Compound ID |
CP0561586
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| Compound Name |
ATR
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| Structure |
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| Formula |
C17H23NO3
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| Molecular Weight |
289.375
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| Canonical SMILES |
CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
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| InChI |
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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| InChIKey |
RKUNBYITZUJHSG-UHFFFAOYSA-N
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| CAS |
51-55-8
78597-12-3
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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