General Information of the Compound
| Compound ID |
CP0003565
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| Compound Name |
ANTIEPILEPSIRINE
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| Structure |
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| Formula |
C15H17NO3
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| Molecular Weight |
259.305
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| Canonical SMILES |
O=C(\C=C\c1ccc2OCOc2c1)N1CCCCC1
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| InChI |
InChI=1S/C15H17NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4-7,10H,1-3,8-9,11H2/b7-5+
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| InChIKey |
BLPUOQGPBJPXRL-FNORWQNLSA-N
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| CAS |
82857-82-7
23434-86-8
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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