General Information of the Compound
| Compound ID |
CP0332343
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| Compound Name |
8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-naphthalen-1-yl-8-aza-bicyclo[3.2.1]oct-2-ene
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| Structure |
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| Formula |
C27H27NO3
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| Molecular Weight |
413.517
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| Canonical SMILES |
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12
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| InChI |
InChI=1S/C27H27NO3/c1-29-25-10-5-11-26-27(25)31-22(17-30-26)16-28-20-12-13-21(28)15-19(14-20)24-9-4-7-18-6-2-3-8-23(18)24/h2-11,14,20-22H,12-13,15-17H2,1H3/t20?,21?,22-/m0/s1
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| InChIKey |
ZIQRGFPFGAMDTI-HRTMPFAESA-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