General Information of the Compound
| Compound ID |
CP0523321
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| Compound Name |
US9085531, 4-(3,5-dimethyl-isoxazol-4-yl
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| Structure |
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| Formula |
C15H18N2O
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| Molecular Weight |
242.322
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| Canonical SMILES |
CN1CC(c2c(C)noc2C)c2ccccc2C1
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| InChI |
InChI=1S/C15H18N2O/c1-10-15(11(2)18-16-10)14-9-17(3)8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3
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| InChIKey |
IEHDEVXKWOALDJ-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter