General Information of the Compound
| Compound ID |
CP0881787
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| Compound Name |
methyl 3-(naphthalen-2-yl)-7-aza-bicyclo[2.2.1]hept-2-ene-2-carboxylate
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| Structure |
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| Formula |
C18H17NO2
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| Molecular Weight |
279.339
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| Canonical SMILES |
COC(=O)C1=C(c2ccc3ccccc3c2)C2CCC1N2
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| InChI |
InChI=1S/C18H17NO2/c1-21-18(20)17-15-9-8-14(19-15)16(17)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14-15,19H,8-9H2,1H3
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| InChIKey |
VMBQININAKGPQP-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